USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 THR OG1 : rot 34:sc= 0.418 USER MOD Single : A 10 MET CE :methyl 173:sc= -4.74! (180deg=-5.28!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 21 SER OG : rot 150:sc= -0.169 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -1.92 F(o=-4.1!,f=-1.9) USER MOD Single : A 35 GLN : amide:sc= -4.38! C(o=-4.4!,f=-5!) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0222 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 60:sc= -0.225 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 174:sc= -0.122 USER MOD Single : A 62 GLN :FLIP amide:sc= -7.01! C(o=-12!,f=-7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.06 K(o=-4.1,f=-5.3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N GLU A 7 4.895 9.247 4.318 1.00 70.33 N ATOM 73 CA GLU A 7 5.111 8.725 2.974 1.00 64.11 C ATOM 74 C GLU A 7 5.228 7.204 2.993 1.00 30.24 C ATOM 75 O GLU A 7 6.247 6.653 3.407 1.00 51.43 O ATOM 76 CB GLU A 7 6.372 9.337 2.363 1.00 13.14 C ATOM 77 CG GLU A 7 7.493 9.553 3.366 1.00 20.31 C ATOM 78 CD GLU A 7 8.647 10.350 2.790 1.00 32.20 C ATOM 79 OE1 GLU A 7 8.561 10.747 1.608 1.00 52.25 O ATOM 80 OE2 GLU A 7 9.635 10.576 3.519 1.00 21.23 O ATOM 0 HA GLU A 7 4.250 8.998 2.363 1.00 64.11 H new ATOM 0 HB2 GLU A 7 6.731 8.687 1.565 1.00 13.14 H new ATOM 0 HB3 GLU A 7 6.116 10.293 1.905 1.00 13.14 H new ATOM 0 HG2 GLU A 7 7.099 10.072 4.240 1.00 20.31 H new ATOM 0 HG3 GLU A 7 7.860 8.586 3.709 1.00 20.31 H new ATOM 85 N VAL A 8 4.175 6.530 2.540 1.00 64.31 N ATOM 86 CA VAL A 8 4.158 5.073 2.504 1.00 32.42 C ATOM 87 C VAL A 8 4.838 4.546 1.245 1.00 22.11 C ATOM 88 O VAL A 8 4.509 4.954 0.130 1.00 64.41 O ATOM 89 CB VAL A 8 2.719 4.526 2.564 1.00 21.15 C ATOM 90 CG1 VAL A 8 2.105 4.484 1.173 1.00 12.13 C ATOM 91 CG2 VAL A 8 2.700 3.147 3.206 1.00 73.52 C ATOM 0 H VAL A 8 3.323 6.970 2.193 1.00 64.31 H new ATOM 0 HA VAL A 8 4.706 4.729 3.381 1.00 32.42 H new ATOM 0 HB VAL A 8 2.119 5.197 3.179 1.00 21.15 H new ATOM 0 HG11 VAL A 8 1.089 4.095 1.235 1.00 12.13 H new ATOM 0 HG12 VAL A 8 2.083 5.490 0.754 1.00 12.13 H new ATOM 0 HG13 VAL A 8 2.702 3.837 0.531 1.00 12.13 H new ATOM 0 HG21 VAL A 8 1.676 2.776 3.240 1.00 73.52 H new ATOM 0 HG22 VAL A 8 3.314 2.464 2.619 1.00 73.52 H new ATOM 0 HG23 VAL A 8 3.096 3.212 4.219 1.00 73.52 H new ATOM 101 N THR A 9 5.790 3.636 1.429 1.00 0.32 N ATOM 102 CA THR A 9 6.518 3.054 0.308 1.00 63.01 C ATOM 103 C THR A 9 6.466 1.531 0.351 1.00 3.14 C ATOM 104 O THR A 9 6.846 0.915 1.346 1.00 15.32 O ATOM 105 CB THR A 9 7.990 3.506 0.300 1.00 32.34 C ATOM 106 OG1 THR A 9 8.667 2.993 1.452 1.00 41.20 O ATOM 107 CG2 THR A 9 8.090 5.024 0.280 1.00 20.52 C ATOM 0 H THR A 9 6.075 3.286 2.344 1.00 0.32 H new ATOM 0 HA THR A 9 6.032 3.406 -0.602 1.00 63.01 H new ATOM 0 HB THR A 9 8.462 3.115 -0.601 1.00 32.34 H new ATOM 0 HG1 THR A 9 8.306 2.111 1.678 1.00 41.20 H new ATOM 0 HG21 THR A 9 9.139 5.319 0.275 1.00 20.52 H new ATOM 0 HG22 THR A 9 7.600 5.409 -0.614 1.00 20.52 H new ATOM 0 HG23 THR A 9 7.603 5.432 1.165 1.00 20.52 H new ATOM 115 N MET A 10 5.992 0.929 -0.735 1.00 42.21 N ATOM 116 CA MET A 10 5.892 -0.523 -0.821 1.00 12.44 C ATOM 117 C MET A 10 6.897 -1.078 -1.827 1.00 12.21 C ATOM 118 O MET A 10 6.639 -1.101 -3.030 1.00 23.00 O ATOM 119 CB MET A 10 4.474 -0.936 -1.220 1.00 0.32 C ATOM 120 CG MET A 10 3.449 0.173 -1.051 1.00 1.24 C ATOM 121 SD MET A 10 1.790 -0.334 -1.540 1.00 61.40 S ATOM 122 CE MET A 10 1.914 -0.224 -3.324 1.00 22.54 C ATOM 0 H MET A 10 5.671 1.424 -1.567 1.00 42.21 H new ATOM 0 HA MET A 10 6.120 -0.937 0.161 1.00 12.44 H new ATOM 0 HB2 MET A 10 4.478 -1.261 -2.261 1.00 0.32 H new ATOM 0 HB3 MET A 10 4.172 -1.794 -0.620 1.00 0.32 H new ATOM 0 HG2 MET A 10 3.434 0.493 -0.009 1.00 1.24 H new ATOM 0 HG3 MET A 10 3.751 1.035 -1.645 1.00 1.24 H new ATOM 0 HE1 MET A 10 1.007 -0.625 -3.777 1.00 22.54 H new ATOM 0 HE2 MET A 10 2.035 0.819 -3.617 1.00 22.54 H new ATOM 0 HE3 MET A 10 2.775 -0.799 -3.665 1.00 22.54 H new ATOM 130 N LYS A 11 8.044 -1.524 -1.325 1.00 71.32 N ATOM 131 CA LYS A 11 9.088 -2.080 -2.179 1.00 43.12 C ATOM 132 C LYS A 11 8.971 -3.598 -2.262 1.00 71.20 C ATOM 133 O LYS A 11 8.660 -4.263 -1.273 1.00 34.00 O ATOM 134 CB LYS A 11 10.470 -1.692 -1.647 1.00 62.44 C ATOM 135 CG LYS A 11 11.236 -0.760 -2.568 1.00 32.20 C ATOM 136 CD LYS A 11 12.703 -0.675 -2.182 1.00 61.43 C ATOM 137 CE LYS A 11 13.290 0.687 -2.517 1.00 75.33 C ATOM 138 NZ LYS A 11 14.759 0.615 -2.750 1.00 12.24 N ATOM 0 H LYS A 11 8.274 -1.511 -0.331 1.00 71.32 H new ATOM 0 HA LYS A 11 8.962 -1.668 -3.180 1.00 43.12 H new ATOM 0 HB2 LYS A 11 10.355 -1.214 -0.674 1.00 62.44 H new ATOM 0 HB3 LYS A 11 11.057 -2.597 -1.490 1.00 62.44 H new ATOM 0 HG2 LYS A 11 11.149 -1.111 -3.596 1.00 32.20 H new ATOM 0 HG3 LYS A 11 10.791 0.235 -2.532 1.00 32.20 H new ATOM 0 HD2 LYS A 11 12.811 -0.866 -1.114 1.00 61.43 H new ATOM 0 HD3 LYS A 11 13.263 -1.452 -2.703 1.00 61.43 H new ATOM 0 HE2 LYS A 11 12.800 1.085 -3.406 1.00 75.33 H new ATOM 0 HE3 LYS A 11 13.085 1.381 -1.702 1.00 75.33 H new ATOM 0 HZ1 LYS A 11 15.122 1.563 -2.976 1.00 12.24 H new ATOM 0 HZ2 LYS A 11 15.229 0.259 -1.893 1.00 12.24 H new ATOM 0 HZ3 LYS A 11 14.953 -0.028 -3.544 1.00 12.24 H new ATOM 148 N LYS A 12 9.222 -4.142 -3.448 1.00 73.21 N ATOM 149 CA LYS A 12 9.148 -5.583 -3.660 1.00 54.20 C ATOM 150 C LYS A 12 9.716 -6.340 -2.463 1.00 3.12 C ATOM 151 O LYS A 12 10.904 -6.239 -2.159 1.00 25.55 O ATOM 152 CB LYS A 12 9.910 -5.972 -4.930 1.00 65.00 C ATOM 153 CG LYS A 12 9.260 -7.103 -5.706 1.00 24.42 C ATOM 154 CD LYS A 12 9.180 -6.788 -7.191 1.00 25.20 C ATOM 155 CE LYS A 12 10.560 -6.742 -7.826 1.00 40.31 C ATOM 156 NZ LYS A 12 10.498 -6.343 -9.260 1.00 75.15 N ATOM 0 H LYS A 12 9.479 -3.607 -4.277 1.00 73.21 H new ATOM 0 HA LYS A 12 8.099 -5.854 -3.775 1.00 54.20 H new ATOM 0 HB2 LYS A 12 9.991 -5.098 -5.577 1.00 65.00 H new ATOM 0 HB3 LYS A 12 10.925 -6.264 -4.660 1.00 65.00 H new ATOM 0 HG2 LYS A 12 9.829 -8.021 -5.558 1.00 24.42 H new ATOM 0 HG3 LYS A 12 8.258 -7.283 -5.317 1.00 24.42 H new ATOM 0 HD2 LYS A 12 8.573 -7.542 -7.692 1.00 25.20 H new ATOM 0 HD3 LYS A 12 8.680 -5.830 -7.334 1.00 25.20 H new ATOM 0 HE2 LYS A 12 11.188 -6.038 -7.280 1.00 40.31 H new ATOM 0 HE3 LYS A 12 11.031 -7.721 -7.742 1.00 40.31 H new ATOM 0 HZ1 LYS A 12 11.459 -6.323 -9.657 1.00 75.15 H new ATOM 0 HZ2 LYS A 12 9.920 -7.029 -9.786 1.00 75.15 H new ATOM 0 HZ3 LYS A 12 10.072 -5.398 -9.339 1.00 75.15 H new ATOM 166 N GLY A 13 8.858 -7.098 -1.788 1.00 30.42 N ATOM 167 CA GLY A 13 9.292 -7.861 -0.633 1.00 74.35 C ATOM 168 C GLY A 13 9.163 -7.081 0.660 1.00 74.05 C ATOM 169 O GLY A 13 10.121 -6.974 1.426 1.00 2.10 O ATOM 0 H GLY A 13 7.870 -7.197 -2.021 1.00 30.42 H new ATOM 0 HA2 GLY A 13 8.702 -8.775 -0.563 1.00 74.35 H new ATOM 0 HA3 GLY A 13 10.331 -8.162 -0.770 1.00 74.35 H new ATOM 173 N ASP A 14 7.977 -6.535 0.903 1.00 73.30 N ATOM 174 CA ASP A 14 7.726 -5.759 2.112 1.00 62.53 C ATOM 175 C ASP A 14 6.299 -5.973 2.608 1.00 75.33 C ATOM 176 O ASP A 14 5.393 -6.250 1.822 1.00 13.11 O ATOM 177 CB ASP A 14 7.971 -4.273 1.851 1.00 32.11 C ATOM 178 CG ASP A 14 8.731 -3.603 2.979 1.00 34.41 C ATOM 179 OD1 ASP A 14 9.704 -4.207 3.477 1.00 53.23 O ATOM 180 OD2 ASP A 14 8.353 -2.477 3.362 1.00 73.33 O ATOM 0 H ASP A 14 7.174 -6.615 0.279 1.00 73.30 H new ATOM 0 HA ASP A 14 8.415 -6.102 2.884 1.00 62.53 H new ATOM 0 HB2 ASP A 14 8.530 -4.158 0.922 1.00 32.11 H new ATOM 0 HB3 ASP A 14 7.014 -3.769 1.712 1.00 32.11 H new ATOM 184 N ILE A 15 6.108 -5.845 3.917 1.00 42.43 N ATOM 185 CA ILE A 15 4.791 -6.023 4.517 1.00 73.01 C ATOM 186 C ILE A 15 4.252 -4.706 5.063 1.00 41.31 C ATOM 187 O ILE A 15 4.989 -3.921 5.663 1.00 30.13 O ATOM 188 CB ILE A 15 4.827 -7.061 5.655 1.00 54.32 C ATOM 189 CG1 ILE A 15 5.532 -8.336 5.190 1.00 74.40 C ATOM 190 CG2 ILE A 15 3.418 -7.372 6.133 1.00 25.10 C ATOM 191 CD1 ILE A 15 6.251 -9.070 6.300 1.00 72.11 C ATOM 0 H ILE A 15 6.848 -5.619 4.582 1.00 42.43 H new ATOM 0 HA ILE A 15 4.131 -6.383 3.728 1.00 73.01 H new ATOM 0 HB ILE A 15 5.388 -6.643 6.490 1.00 54.32 H new ATOM 0 HG12 ILE A 15 4.797 -9.004 4.741 1.00 74.40 H new ATOM 0 HG13 ILE A 15 6.250 -8.081 4.410 1.00 74.40 H new ATOM 0 HG21 ILE A 15 3.460 -8.107 6.937 1.00 25.10 H new ATOM 0 HG22 ILE A 15 2.949 -6.459 6.500 1.00 25.10 H new ATOM 0 HG23 ILE A 15 2.833 -7.773 5.305 1.00 25.10 H new ATOM 0 HD11 ILE A 15 6.727 -9.963 5.896 1.00 72.11 H new ATOM 0 HD12 ILE A 15 7.010 -8.419 6.735 1.00 72.11 H new ATOM 0 HD13 ILE A 15 5.535 -9.357 7.070 1.00 72.11 H new ATOM 202 N LEU A 16 2.962 -4.468 4.852 1.00 53.44 N ATOM 203 CA LEU A 16 2.323 -3.246 5.325 1.00 3.44 C ATOM 204 C LEU A 16 0.887 -3.516 5.763 1.00 71.31 C ATOM 205 O LEU A 16 0.100 -4.107 5.022 1.00 55.32 O ATOM 206 CB LEU A 16 2.341 -2.180 4.228 1.00 5.14 C ATOM 207 CG LEU A 16 3.494 -2.265 3.228 1.00 74.44 C ATOM 208 CD1 LEU A 16 3.064 -3.021 1.980 1.00 14.34 C ATOM 209 CD2 LEU A 16 3.992 -0.873 2.867 1.00 3.03 C ATOM 0 H LEU A 16 2.339 -5.105 4.356 1.00 53.44 H new ATOM 0 HA LEU A 16 2.884 -2.883 6.186 1.00 3.44 H new ATOM 0 HB2 LEU A 16 1.403 -2.239 3.676 1.00 5.14 H new ATOM 0 HB3 LEU A 16 2.370 -1.199 4.703 1.00 5.14 H new ATOM 0 HG LEU A 16 4.314 -2.812 3.694 1.00 74.44 H new ATOM 0 HD11 LEU A 16 3.898 -3.071 1.280 1.00 14.34 H new ATOM 0 HD12 LEU A 16 2.758 -4.031 2.254 1.00 14.34 H new ATOM 0 HD13 LEU A 16 2.227 -2.503 1.511 1.00 14.34 H new ATOM 0 HD21 LEU A 16 4.813 -0.954 2.154 1.00 3.03 H new ATOM 0 HD22 LEU A 16 3.179 -0.300 2.421 1.00 3.03 H new ATOM 0 HD23 LEU A 16 4.341 -0.367 3.767 1.00 3.03 H new ATOM 220 N THR A 17 0.550 -3.077 6.973 1.00 34.30 N ATOM 221 CA THR A 17 -0.791 -3.271 7.510 1.00 32.13 C ATOM 222 C THR A 17 -1.852 -3.022 6.443 1.00 34.12 C ATOM 223 O THR A 17 -1.906 -1.946 5.847 1.00 0.24 O ATOM 224 CB THR A 17 -1.056 -2.341 8.708 1.00 31.41 C ATOM 225 OG1 THR A 17 -0.069 -2.555 9.722 1.00 60.25 O ATOM 226 CG2 THR A 17 -2.444 -2.583 9.284 1.00 12.01 C ATOM 0 H THR A 17 1.188 -2.585 7.599 1.00 34.30 H new ATOM 0 HA THR A 17 -0.851 -4.307 7.844 1.00 32.13 H new ATOM 0 HB THR A 17 -0.999 -1.310 8.359 1.00 31.41 H new ATOM 0 HG1 THR A 17 -0.244 -1.958 10.480 1.00 60.25 H new ATOM 0 HG21 THR A 17 -2.609 -1.915 10.129 1.00 12.01 H new ATOM 0 HG22 THR A 17 -3.195 -2.390 8.517 1.00 12.01 H new ATOM 0 HG23 THR A 17 -2.524 -3.617 9.618 1.00 12.01 H new ATOM 234 N LEU A 18 -2.693 -4.022 6.208 1.00 34.32 N ATOM 235 CA LEU A 18 -3.754 -3.911 5.213 1.00 34.43 C ATOM 236 C LEU A 18 -4.794 -2.880 5.638 1.00 25.15 C ATOM 237 O LEU A 18 -5.915 -3.230 6.011 1.00 11.21 O ATOM 238 CB LEU A 18 -4.424 -5.271 4.999 1.00 50.41 C ATOM 239 CG LEU A 18 -5.296 -5.399 3.749 1.00 61.43 C ATOM 240 CD1 LEU A 18 -6.766 -5.230 4.104 1.00 51.01 C ATOM 241 CD2 LEU A 18 -4.879 -4.381 2.700 1.00 1.42 C ATOM 0 H LEU A 18 -2.661 -4.919 6.693 1.00 34.32 H new ATOM 0 HA LEU A 18 -3.306 -3.582 4.275 1.00 34.43 H new ATOM 0 HB2 LEU A 18 -3.647 -6.034 4.955 1.00 50.41 H new ATOM 0 HB3 LEU A 18 -5.039 -5.492 5.871 1.00 50.41 H new ATOM 0 HG LEU A 18 -5.156 -6.397 3.333 1.00 61.43 H new ATOM 0 HD11 LEU A 18 -7.371 -5.324 3.202 1.00 51.01 H new ATOM 0 HD12 LEU A 18 -7.058 -5.999 4.819 1.00 51.01 H new ATOM 0 HD13 LEU A 18 -6.923 -4.246 4.545 1.00 51.01 H new ATOM 0 HD21 LEU A 18 -5.511 -4.488 1.818 1.00 1.42 H new ATOM 0 HD22 LEU A 18 -4.988 -3.375 3.105 1.00 1.42 H new ATOM 0 HD23 LEU A 18 -3.838 -4.549 2.423 1.00 1.42 H new ATOM 252 N LEU A 19 -4.417 -1.608 5.577 1.00 74.15 N ATOM 253 CA LEU A 19 -5.318 -0.524 5.954 1.00 30.13 C ATOM 254 C LEU A 19 -6.592 -0.559 5.116 1.00 4.52 C ATOM 255 O LEU A 19 -6.782 -1.456 4.296 1.00 5.31 O ATOM 256 CB LEU A 19 -4.620 0.826 5.786 1.00 43.42 C ATOM 257 CG LEU A 19 -3.962 1.402 7.040 1.00 41.33 C ATOM 258 CD1 LEU A 19 -3.095 0.353 7.718 1.00 63.53 C ATOM 259 CD2 LEU A 19 -3.137 2.634 6.693 1.00 32.04 C ATOM 0 H LEU A 19 -3.494 -1.301 5.270 1.00 74.15 H new ATOM 0 HA LEU A 19 -5.590 -0.658 7.001 1.00 30.13 H new ATOM 0 HB2 LEU A 19 -3.857 0.724 5.014 1.00 43.42 H new ATOM 0 HB3 LEU A 19 -5.351 1.547 5.420 1.00 43.42 H new ATOM 0 HG LEU A 19 -4.748 1.699 7.734 1.00 41.33 H new ATOM 0 HD11 LEU A 19 -2.635 0.781 8.608 1.00 63.53 H new ATOM 0 HD12 LEU A 19 -3.711 -0.500 8.002 1.00 63.53 H new ATOM 0 HD13 LEU A 19 -2.316 0.024 7.030 1.00 63.53 H new ATOM 0 HD21 LEU A 19 -2.676 3.030 7.598 1.00 32.04 H new ATOM 0 HD22 LEU A 19 -2.359 2.362 5.979 1.00 32.04 H new ATOM 0 HD23 LEU A 19 -3.784 3.393 6.253 1.00 32.04 H new ATOM 270 N ASN A 20 -7.459 0.425 5.327 1.00 24.10 N ATOM 271 CA ASN A 20 -8.715 0.508 4.590 1.00 42.14 C ATOM 272 C ASN A 20 -8.499 0.206 3.111 1.00 20.51 C ATOM 273 O ASN A 20 -8.054 1.065 2.349 1.00 70.45 O ATOM 274 CB ASN A 20 -9.335 1.898 4.752 1.00 42.34 C ATOM 275 CG ASN A 20 -10.742 1.841 5.316 1.00 11.20 C ATOM 276 OD1 ASN A 20 -11.730 1.748 4.433 1.00 52.10 O flip ATOM 277 ND2 ASN A 20 -10.938 1.881 6.531 1.00 40.13 N flip ATOM 0 H ASN A 20 -7.315 1.176 6.002 1.00 24.10 H new ATOM 0 HA ASN A 20 -9.397 -0.237 4.999 1.00 42.14 H new ATOM 0 HB2 ASN A 20 -8.707 2.499 5.410 1.00 42.34 H new ATOM 0 HB3 ASN A 20 -9.354 2.399 3.784 1.00 42.34 H new ATOM 0 HD21 ASN A 20 -10.149 1.953 7.173 1.00 40.13 H new ATOM 0 HD22 ASN A 20 -11.890 1.842 6.896 1.00 40.13 H new ATOM 283 N SER A 21 -8.817 -1.022 2.711 1.00 0.51 N ATOM 284 CA SER A 21 -8.655 -1.439 1.323 1.00 72.12 C ATOM 285 C SER A 21 -9.977 -1.341 0.568 1.00 50.21 C ATOM 286 O SER A 21 -10.152 -1.957 -0.484 1.00 22.33 O ATOM 287 CB SER A 21 -8.123 -2.873 1.259 1.00 30.21 C ATOM 288 OG SER A 21 -8.856 -3.727 2.121 1.00 13.11 O ATOM 0 H SER A 21 -9.188 -1.744 3.328 1.00 0.51 H new ATOM 0 HA SER A 21 -7.936 -0.770 0.850 1.00 72.12 H new ATOM 0 HB2 SER A 21 -8.186 -3.243 0.236 1.00 30.21 H new ATOM 0 HB3 SER A 21 -7.069 -2.886 1.538 1.00 30.21 H new ATOM 0 HG SER A 21 -8.864 -4.635 1.753 1.00 13.11 H new ATOM 293 N THR A 22 -10.905 -0.560 1.111 1.00 72.14 N ATOM 294 CA THR A 22 -12.212 -0.381 0.492 1.00 40.21 C ATOM 295 C THR A 22 -12.088 -0.245 -1.022 1.00 42.11 C ATOM 296 O THR A 22 -12.622 -1.058 -1.773 1.00 20.52 O ATOM 297 CB THR A 22 -12.933 0.860 1.050 1.00 41.30 C ATOM 298 OG1 THR A 22 -14.037 1.207 0.206 1.00 51.11 O ATOM 299 CG2 THR A 22 -11.977 2.040 1.154 1.00 42.12 C ATOM 0 H THR A 22 -10.775 -0.041 1.979 1.00 72.14 H new ATOM 0 HA THR A 22 -12.798 -1.269 0.728 1.00 40.21 H new ATOM 0 HB THR A 22 -13.301 0.621 2.048 1.00 41.30 H new ATOM 0 HG1 THR A 22 -14.491 1.996 0.569 1.00 51.11 H new ATOM 0 HG21 THR A 22 -12.509 2.905 1.550 1.00 42.12 H new ATOM 0 HG22 THR A 22 -11.153 1.783 1.820 1.00 42.12 H new ATOM 0 HG23 THR A 22 -11.583 2.278 0.166 1.00 42.12 H new ATOM 307 N ASN A 23 -11.379 0.790 -1.462 1.00 63.31 N ATOM 308 CA ASN A 23 -11.185 1.032 -2.887 1.00 4.13 C ATOM 309 C ASN A 23 -10.269 -0.024 -3.498 1.00 15.05 C ATOM 310 O ASN A 23 -9.060 -0.024 -3.263 1.00 31.41 O ATOM 311 CB ASN A 23 -10.597 2.426 -3.114 1.00 45.13 C ATOM 312 CG ASN A 23 -11.400 3.236 -4.113 1.00 12.10 C ATOM 313 OD1 ASN A 23 -12.470 3.755 -3.793 1.00 72.11 O ATOM 314 ND2 ASN A 23 -10.885 3.350 -5.332 1.00 22.20 N ATOM 0 H ASN A 23 -10.930 1.474 -0.853 1.00 63.31 H new ATOM 0 HA ASN A 23 -12.157 0.971 -3.376 1.00 4.13 H new ATOM 0 HB2 ASN A 23 -10.558 2.960 -2.165 1.00 45.13 H new ATOM 0 HB3 ASN A 23 -9.571 2.331 -3.468 1.00 45.13 H new ATOM 0 HD21 ASN A 23 -11.379 3.884 -6.047 1.00 22.20 H new ATOM 0 HD22 ASN A 23 -9.995 2.903 -5.554 1.00 22.20 H new ATOM 320 N LYS A 24 -10.852 -0.922 -4.286 1.00 44.33 N ATOM 321 CA LYS A 24 -10.089 -1.982 -4.933 1.00 52.12 C ATOM 322 C LYS A 24 -8.952 -1.402 -5.768 1.00 42.15 C ATOM 323 O LYS A 24 -7.857 -1.964 -5.818 1.00 24.22 O ATOM 324 CB LYS A 24 -11.006 -2.829 -5.819 1.00 60.11 C ATOM 325 CG LYS A 24 -11.519 -2.092 -7.043 1.00 24.23 C ATOM 326 CD LYS A 24 -12.255 -3.026 -7.989 1.00 24.24 C ATOM 327 CE LYS A 24 -11.341 -3.535 -9.094 1.00 61.42 C ATOM 328 NZ LYS A 24 -11.335 -5.022 -9.167 1.00 2.02 N ATOM 0 H LYS A 24 -11.851 -0.936 -4.492 1.00 44.33 H new ATOM 0 HA LYS A 24 -9.659 -2.614 -4.155 1.00 52.12 H new ATOM 0 HB2 LYS A 24 -10.465 -3.719 -6.141 1.00 60.11 H new ATOM 0 HB3 LYS A 24 -11.856 -3.169 -5.227 1.00 60.11 H new ATOM 0 HG2 LYS A 24 -12.186 -1.288 -6.732 1.00 24.23 H new ATOM 0 HG3 LYS A 24 -10.683 -1.628 -7.566 1.00 24.23 H new ATOM 0 HD2 LYS A 24 -12.656 -3.871 -7.429 1.00 24.24 H new ATOM 0 HD3 LYS A 24 -13.104 -2.504 -8.430 1.00 24.24 H new ATOM 0 HE2 LYS A 24 -11.665 -3.126 -10.051 1.00 61.42 H new ATOM 0 HE3 LYS A 24 -10.327 -3.176 -8.921 1.00 61.42 H new ATOM 0 HZ1 LYS A 24 -10.701 -5.329 -9.932 1.00 2.02 H new ATOM 0 HZ2 LYS A 24 -11.002 -5.413 -8.263 1.00 2.02 H new ATOM 0 HZ3 LYS A 24 -12.298 -5.364 -9.358 1.00 2.02 H new ATOM 338 N ASP A 25 -9.217 -0.276 -6.419 1.00 13.30 N ATOM 339 CA ASP A 25 -8.214 0.381 -7.250 1.00 45.33 C ATOM 340 C ASP A 25 -7.030 0.846 -6.407 1.00 64.42 C ATOM 341 O ASP A 25 -5.897 0.891 -6.884 1.00 12.13 O ATOM 342 CB ASP A 25 -8.832 1.573 -7.985 1.00 73.43 C ATOM 343 CG ASP A 25 -10.244 1.291 -8.459 1.00 15.13 C ATOM 344 OD1 ASP A 25 -10.499 0.161 -8.924 1.00 12.34 O ATOM 345 OD2 ASP A 25 -11.093 2.202 -8.368 1.00 41.23 O ATOM 0 H ASP A 25 -10.118 0.202 -6.388 1.00 13.30 H new ATOM 0 HA ASP A 25 -7.854 -0.341 -7.983 1.00 45.33 H new ATOM 0 HB2 ASP A 25 -8.840 2.440 -7.324 1.00 73.43 H new ATOM 0 HB3 ASP A 25 -8.209 1.831 -8.841 1.00 73.43 H new ATOM 349 N TRP A 26 -7.303 1.190 -5.154 1.00 54.44 N ATOM 350 CA TRP A 26 -6.259 1.652 -4.245 1.00 2.31 C ATOM 351 C TRP A 26 -6.457 1.072 -2.849 1.00 21.34 C ATOM 352 O TRP A 26 -7.444 1.370 -2.177 1.00 1.32 O ATOM 353 CB TRP A 26 -6.252 3.180 -4.179 1.00 12.23 C ATOM 354 CG TRP A 26 -5.826 3.828 -5.462 1.00 54.24 C ATOM 355 CD1 TRP A 26 -6.611 4.094 -6.547 1.00 71.14 C ATOM 356 CD2 TRP A 26 -4.511 4.290 -5.793 1.00 62.44 C ATOM 357 NE1 TRP A 26 -5.864 4.693 -7.532 1.00 31.23 N ATOM 358 CE2 TRP A 26 -4.573 4.825 -7.094 1.00 10.34 C ATOM 359 CE3 TRP A 26 -3.288 4.305 -5.115 1.00 4.33 C ATOM 360 CZ2 TRP A 26 -3.460 5.368 -7.729 1.00 72.12 C ATOM 361 CZ3 TRP A 26 -2.184 4.844 -5.748 1.00 50.34 C ATOM 362 CH2 TRP A 26 -2.276 5.370 -7.044 1.00 54.24 C ATOM 0 H TRP A 26 -8.236 1.158 -4.744 1.00 54.44 H new ATOM 0 HA TRP A 26 -5.299 1.307 -4.629 1.00 2.31 H new ATOM 0 HB2 TRP A 26 -7.251 3.530 -3.918 1.00 12.23 H new ATOM 0 HB3 TRP A 26 -5.583 3.499 -3.380 1.00 12.23 H new ATOM 0 HD1 TRP A 26 -7.664 3.867 -6.620 1.00 71.14 H new ATOM 0 HE1 TRP A 26 -6.214 4.991 -8.442 1.00 31.23 H new ATOM 0 HE3 TRP A 26 -3.208 3.903 -4.116 1.00 4.33 H new ATOM 0 HZ2 TRP A 26 -3.529 5.774 -8.728 1.00 72.12 H new ATOM 0 HZ3 TRP A 26 -1.234 4.860 -5.235 1.00 50.34 H new ATOM 0 HH2 TRP A 26 -1.395 5.785 -7.511 1.00 54.24 H new ATOM 372 N TRP A 27 -5.514 0.242 -2.420 1.00 50.24 N ATOM 373 CA TRP A 27 -5.585 -0.381 -1.102 1.00 4.22 C ATOM 374 C TRP A 27 -4.709 0.363 -0.101 1.00 72.03 C ATOM 375 O TRP A 27 -3.482 0.315 -0.179 1.00 74.04 O ATOM 376 CB TRP A 27 -5.157 -1.846 -1.184 1.00 64.54 C ATOM 377 CG TRP A 27 -6.300 -2.787 -1.420 1.00 71.50 C ATOM 378 CD1 TRP A 27 -7.548 -2.463 -1.871 1.00 71.33 C ATOM 379 CD2 TRP A 27 -6.300 -4.204 -1.215 1.00 63.51 C ATOM 380 NE1 TRP A 27 -8.324 -3.594 -1.959 1.00 73.14 N ATOM 381 CE2 TRP A 27 -7.581 -4.675 -1.563 1.00 71.32 C ATOM 382 CE3 TRP A 27 -5.343 -5.121 -0.774 1.00 41.53 C ATOM 383 CZ2 TRP A 27 -7.927 -6.021 -1.481 1.00 73.22 C ATOM 384 CZ3 TRP A 27 -5.687 -6.456 -0.692 1.00 21.41 C ATOM 385 CH2 TRP A 27 -6.969 -6.897 -1.046 1.00 43.30 C ATOM 0 H TRP A 27 -4.691 -0.016 -2.965 1.00 50.24 H new ATOM 0 HA TRP A 27 -6.618 -0.331 -0.759 1.00 4.22 H new ATOM 0 HB2 TRP A 27 -4.430 -1.960 -1.988 1.00 64.54 H new ATOM 0 HB3 TRP A 27 -4.654 -2.122 -0.258 1.00 64.54 H new ATOM 0 HD1 TRP A 27 -7.877 -1.465 -2.122 1.00 71.33 H new ATOM 0 HE1 TRP A 27 -9.295 -3.624 -2.269 1.00 73.14 H new ATOM 0 HE3 TRP A 27 -4.351 -4.792 -0.502 1.00 41.53 H new ATOM 0 HZ2 TRP A 27 -8.916 -6.362 -1.751 1.00 73.22 H new ATOM 0 HZ3 TRP A 27 -4.955 -7.172 -0.349 1.00 21.41 H new ATOM 0 HH2 TRP A 27 -7.206 -7.948 -0.974 1.00 43.30 H new ATOM 395 N LYS A 28 -5.347 1.051 0.841 1.00 53.20 N ATOM 396 CA LYS A 28 -4.624 1.804 1.860 1.00 43.10 C ATOM 397 C LYS A 28 -3.744 0.882 2.696 1.00 75.24 C ATOM 398 O LYS A 28 -4.165 -0.206 3.090 1.00 51.34 O ATOM 399 CB LYS A 28 -5.609 2.547 2.767 1.00 34.14 C ATOM 400 CG LYS A 28 -5.025 3.798 3.402 1.00 31.44 C ATOM 401 CD LYS A 28 -5.809 4.215 4.633 1.00 50.55 C ATOM 402 CE LYS A 28 -5.440 5.621 5.080 1.00 15.51 C ATOM 403 NZ LYS A 28 -6.608 6.349 5.648 1.00 54.33 N ATOM 0 H LYS A 28 -6.363 1.103 0.920 1.00 53.20 H new ATOM 0 HA LYS A 28 -3.984 2.528 1.356 1.00 43.10 H new ATOM 0 HB2 LYS A 28 -6.489 2.822 2.186 1.00 34.14 H new ATOM 0 HB3 LYS A 28 -5.945 1.872 3.555 1.00 34.14 H new ATOM 0 HG2 LYS A 28 -3.985 3.617 3.675 1.00 31.44 H new ATOM 0 HG3 LYS A 28 -5.027 4.611 2.676 1.00 31.44 H new ATOM 0 HD2 LYS A 28 -6.877 4.169 4.418 1.00 50.55 H new ATOM 0 HD3 LYS A 28 -5.616 3.512 5.444 1.00 50.55 H new ATOM 0 HE2 LYS A 28 -4.648 5.568 5.827 1.00 15.51 H new ATOM 0 HE3 LYS A 28 -5.042 6.179 4.232 1.00 15.51 H new ATOM 0 HZ1 LYS A 28 -6.314 7.303 5.940 1.00 54.33 H new ATOM 0 HZ2 LYS A 28 -7.355 6.422 4.928 1.00 54.33 H new ATOM 0 HZ3 LYS A 28 -6.972 5.831 6.473 1.00 54.33 H new ATOM 413 N VAL A 29 -2.519 1.324 2.965 1.00 43.22 N ATOM 414 CA VAL A 29 -1.579 0.539 3.757 1.00 23.43 C ATOM 415 C VAL A 29 -0.699 1.439 4.617 1.00 23.15 C ATOM 416 O VAL A 29 -0.255 2.497 4.171 1.00 44.33 O ATOM 417 CB VAL A 29 -0.682 -0.334 2.860 1.00 42.45 C ATOM 418 CG1 VAL A 29 -1.525 -1.147 1.890 1.00 51.10 C ATOM 419 CG2 VAL A 29 0.323 0.530 2.112 1.00 54.04 C ATOM 0 H VAL A 29 -2.155 2.222 2.646 1.00 43.22 H new ATOM 0 HA VAL A 29 -2.172 -0.108 4.403 1.00 23.43 H new ATOM 0 HB VAL A 29 -0.130 -1.029 3.493 1.00 42.45 H new ATOM 0 HG11 VAL A 29 -0.873 -1.757 1.265 1.00 51.10 H new ATOM 0 HG12 VAL A 29 -2.201 -1.794 2.449 1.00 51.10 H new ATOM 0 HG13 VAL A 29 -2.106 -0.473 1.260 1.00 51.10 H new ATOM 0 HG21 VAL A 29 0.949 -0.102 1.483 1.00 54.04 H new ATOM 0 HG22 VAL A 29 -0.208 1.249 1.489 1.00 54.04 H new ATOM 0 HG23 VAL A 29 0.949 1.063 2.828 1.00 54.04 H new ATOM 429 N GLU A 30 -0.451 1.012 5.851 1.00 30.13 N ATOM 430 CA GLU A 30 0.376 1.780 6.772 1.00 42.24 C ATOM 431 C GLU A 30 1.790 1.209 6.841 1.00 22.32 C ATOM 432 O GLU A 30 2.027 0.063 6.461 1.00 72.21 O ATOM 433 CB GLU A 30 -0.250 1.788 8.169 1.00 43.12 C ATOM 434 CG GLU A 30 0.636 2.421 9.230 1.00 2.02 C ATOM 435 CD GLU A 30 0.015 2.374 10.612 1.00 61.42 C ATOM 436 OE1 GLU A 30 -1.058 2.984 10.801 1.00 22.41 O ATOM 437 OE2 GLU A 30 0.602 1.727 11.505 1.00 62.12 O ATOM 0 H GLU A 30 -0.811 0.138 6.235 1.00 30.13 H new ATOM 0 HA GLU A 30 0.433 2.803 6.400 1.00 42.24 H new ATOM 0 HB2 GLU A 30 -1.197 2.326 8.130 1.00 43.12 H new ATOM 0 HB3 GLU A 30 -0.477 0.763 8.462 1.00 43.12 H new ATOM 0 HG2 GLU A 30 1.597 1.907 9.250 1.00 2.02 H new ATOM 0 HG3 GLU A 30 0.835 3.458 8.960 1.00 2.02 H new ATOM 442 N VAL A 31 2.726 2.018 7.326 1.00 64.23 N ATOM 443 CA VAL A 31 4.116 1.595 7.445 1.00 72.22 C ATOM 444 C VAL A 31 4.748 2.137 8.722 1.00 72.43 C ATOM 445 O VAL A 31 5.716 2.894 8.674 1.00 72.05 O ATOM 446 CB VAL A 31 4.949 2.060 6.236 1.00 71.33 C ATOM 447 CG1 VAL A 31 6.422 1.745 6.449 1.00 41.02 C ATOM 448 CG2 VAL A 31 4.437 1.414 4.956 1.00 41.35 C ATOM 0 H VAL A 31 2.547 2.971 7.643 1.00 64.23 H new ATOM 0 HA VAL A 31 4.114 0.506 7.478 1.00 72.22 H new ATOM 0 HB VAL A 31 4.844 3.140 6.138 1.00 71.33 H new ATOM 0 HG11 VAL A 31 6.995 2.081 5.584 1.00 41.02 H new ATOM 0 HG12 VAL A 31 6.778 2.258 7.342 1.00 41.02 H new ATOM 0 HG13 VAL A 31 6.550 0.670 6.573 1.00 41.02 H new ATOM 0 HG21 VAL A 31 5.037 1.754 4.112 1.00 41.35 H new ATOM 0 HG22 VAL A 31 4.511 0.330 5.041 1.00 41.35 H new ATOM 0 HG23 VAL A 31 3.396 1.695 4.798 1.00 41.35 H new ATOM 458 N ASN A 32 4.194 1.741 9.864 1.00 54.22 N ATOM 459 CA ASN A 32 4.704 2.187 11.155 1.00 71.54 C ATOM 460 C ASN A 32 4.308 3.635 11.426 1.00 61.43 C ATOM 461 O ASN A 32 3.551 3.920 12.355 1.00 31.40 O ATOM 462 CB ASN A 32 6.227 2.045 11.202 1.00 41.14 C ATOM 463 CG ASN A 32 6.705 0.738 10.601 1.00 30.15 C ATOM 464 OD1 ASN A 32 7.048 0.768 9.318 1.00 33.04 O flip ATOM 465 ND2 ASN A 32 6.765 -0.286 11.281 1.00 64.03 N flip ATOM 0 H ASN A 32 3.393 1.113 9.921 1.00 54.22 H new ATOM 0 HA ASN A 32 4.263 1.558 11.929 1.00 71.54 H new ATOM 0 HB2 ASN A 32 6.683 2.877 10.665 1.00 41.14 H new ATOM 0 HB3 ASN A 32 6.563 2.110 12.237 1.00 41.14 H new ATOM 0 HD21 ASN A 32 6.491 -0.263 12.263 1.00 64.03 H new ATOM 0 HD22 ASN A 32 7.088 -1.158 10.862 1.00 64.03 H new ATOM 471 N ASP A 33 4.825 4.547 10.609 1.00 71.43 N ATOM 472 CA ASP A 33 4.525 5.965 10.758 1.00 44.41 C ATOM 473 C ASP A 33 4.036 6.559 9.441 1.00 24.43 C ATOM 474 O ASP A 33 3.319 7.560 9.428 1.00 24.55 O ATOM 475 CB ASP A 33 5.761 6.722 11.246 1.00 15.34 C ATOM 476 CG ASP A 33 5.584 7.284 12.642 1.00 45.14 C ATOM 477 OD1 ASP A 33 4.422 7.474 13.062 1.00 55.21 O ATOM 478 OD2 ASP A 33 6.605 7.533 13.316 1.00 22.20 O ATOM 0 H ASP A 33 5.454 4.328 9.837 1.00 71.43 H new ATOM 0 HA ASP A 33 3.731 6.067 11.498 1.00 44.41 H new ATOM 0 HB2 ASP A 33 6.621 6.053 11.234 1.00 15.34 H new ATOM 0 HB3 ASP A 33 5.981 7.536 10.555 1.00 15.34 H new ATOM 482 N ARG A 34 4.430 5.936 8.335 1.00 31.22 N ATOM 483 CA ARG A 34 4.033 6.404 7.012 1.00 14.21 C ATOM 484 C ARG A 34 2.886 5.565 6.459 1.00 11.11 C ATOM 485 O ARG A 34 2.881 4.340 6.591 1.00 3.54 O ATOM 486 CB ARG A 34 5.224 6.355 6.053 1.00 61.32 C ATOM 487 CG ARG A 34 6.571 6.492 6.745 1.00 45.22 C ATOM 488 CD ARG A 34 7.709 6.039 5.845 1.00 21.20 C ATOM 489 NE ARG A 34 8.522 7.161 5.384 1.00 73.14 N ATOM 490 CZ ARG A 34 9.726 7.021 4.841 1.00 35.22 C ATOM 491 NH1 ARG A 34 10.253 5.814 4.688 1.00 71.23 N ATOM 492 NH2 ARG A 34 10.406 8.091 4.446 1.00 72.21 N ATOM 0 H ARG A 34 5.023 5.106 8.329 1.00 31.22 H new ATOM 0 HA ARG A 34 3.692 7.435 7.106 1.00 14.21 H new ATOM 0 HB2 ARG A 34 5.200 5.412 5.506 1.00 61.32 H new ATOM 0 HB3 ARG A 34 5.120 7.153 5.318 1.00 61.32 H new ATOM 0 HG2 ARG A 34 6.728 7.531 7.036 1.00 45.22 H new ATOM 0 HG3 ARG A 34 6.573 5.901 7.661 1.00 45.22 H new ATOM 0 HD2 ARG A 34 8.339 5.333 6.385 1.00 21.20 H new ATOM 0 HD3 ARG A 34 7.301 5.509 4.984 1.00 21.20 H new ATOM 0 HE ARG A 34 8.145 8.103 5.484 1.00 73.14 H new ATOM 0 HH11 ARG A 34 9.733 4.989 4.988 1.00 71.23 H new ATOM 0 HH12 ARG A 34 11.178 5.711 4.271 1.00 71.23 H new ATOM 0 HH21 ARG A 34 10.004 9.021 4.560 1.00 72.21 H new ATOM 0 HH22 ARG A 34 11.331 7.982 4.029 1.00 72.21 H new ATOM 503 N GLN A 35 1.916 6.231 5.842 1.00 14.21 N ATOM 504 CA GLN A 35 0.763 5.545 5.270 1.00 42.43 C ATOM 505 C GLN A 35 0.241 6.288 4.045 1.00 31.41 C ATOM 506 O GLN A 35 0.840 7.265 3.596 1.00 24.42 O ATOM 507 CB GLN A 35 -0.348 5.414 6.313 1.00 40.52 C ATOM 508 CG GLN A 35 0.116 5.694 7.734 1.00 20.01 C ATOM 509 CD GLN A 35 -0.912 5.290 8.773 1.00 53.14 C ATOM 510 OE1 GLN A 35 -2.069 5.026 8.448 1.00 44.00 O ATOM 511 NE2 GLN A 35 -0.492 5.240 10.032 1.00 15.51 N ATOM 0 H GLN A 35 1.905 7.244 5.725 1.00 14.21 H new ATOM 0 HA GLN A 35 1.081 4.549 4.961 1.00 42.43 H new ATOM 0 HB2 GLN A 35 -1.155 6.102 6.061 1.00 40.52 H new ATOM 0 HB3 GLN A 35 -0.762 4.407 6.266 1.00 40.52 H new ATOM 0 HG2 GLN A 35 1.046 5.158 7.921 1.00 20.01 H new ATOM 0 HG3 GLN A 35 0.334 6.757 7.838 1.00 20.01 H new ATOM 0 HE21 GLN A 35 0.477 5.467 10.256 1.00 15.51 H new ATOM 0 HE22 GLN A 35 -1.138 4.974 10.775 1.00 15.51 H new ATOM 518 N GLY A 36 -0.880 5.817 3.506 1.00 23.10 N ATOM 519 CA GLY A 36 -1.464 6.448 2.337 1.00 70.43 C ATOM 520 C GLY A 36 -2.123 5.449 1.407 1.00 74.51 C ATOM 521 O GLY A 36 -2.023 4.239 1.612 1.00 52.15 O ATOM 0 H GLY A 36 -1.394 5.009 3.858 1.00 23.10 H new ATOM 0 HA2 GLY A 36 -2.202 7.184 2.656 1.00 70.43 H new ATOM 0 HA3 GLY A 36 -0.688 6.988 1.794 1.00 70.43 H new ATOM 525 N PHE A 37 -2.800 5.954 0.381 1.00 70.12 N ATOM 526 CA PHE A 37 -3.480 5.097 -0.583 1.00 4.44 C ATOM 527 C PHE A 37 -2.501 4.567 -1.625 1.00 74.21 C ATOM 528 O PHE A 37 -1.811 5.336 -2.294 1.00 22.11 O ATOM 529 CB PHE A 37 -4.610 5.866 -1.273 1.00 51.03 C ATOM 530 CG PHE A 37 -5.794 6.118 -0.383 1.00 54.32 C ATOM 531 CD1 PHE A 37 -6.773 5.152 -0.222 1.00 61.22 C ATOM 532 CD2 PHE A 37 -5.926 7.320 0.292 1.00 41.54 C ATOM 533 CE1 PHE A 37 -7.864 5.381 0.595 1.00 0.32 C ATOM 534 CE2 PHE A 37 -7.014 7.555 1.112 1.00 5.23 C ATOM 535 CZ PHE A 37 -7.984 6.584 1.264 1.00 71.10 C ATOM 0 H PHE A 37 -2.892 6.953 0.196 1.00 70.12 H new ATOM 0 HA PHE A 37 -3.903 4.250 -0.043 1.00 4.44 H new ATOM 0 HB2 PHE A 37 -4.224 6.821 -1.630 1.00 51.03 H new ATOM 0 HB3 PHE A 37 -4.937 5.307 -2.150 1.00 51.03 H new ATOM 0 HD1 PHE A 37 -6.683 4.209 -0.741 1.00 61.22 H new ATOM 0 HD2 PHE A 37 -5.170 8.083 0.176 1.00 41.54 H new ATOM 0 HE1 PHE A 37 -8.622 4.620 0.710 1.00 0.32 H new ATOM 0 HE2 PHE A 37 -7.105 8.497 1.633 1.00 5.23 H new ATOM 0 HZ PHE A 37 -8.835 6.764 1.904 1.00 71.10 H new ATOM 544 N VAL A 38 -2.444 3.245 -1.756 1.00 32.25 N ATOM 545 CA VAL A 38 -1.550 2.610 -2.717 1.00 30.42 C ATOM 546 C VAL A 38 -2.315 1.672 -3.644 1.00 1.44 C ATOM 547 O VAL A 38 -3.392 1.175 -3.314 1.00 2.31 O ATOM 548 CB VAL A 38 -0.436 1.816 -2.008 1.00 24.13 C ATOM 549 CG1 VAL A 38 0.651 2.753 -1.507 1.00 0.41 C ATOM 550 CG2 VAL A 38 -1.014 0.996 -0.864 1.00 13.20 C ATOM 0 H VAL A 38 -3.006 2.593 -1.209 1.00 32.25 H new ATOM 0 HA VAL A 38 -1.099 3.409 -3.305 1.00 30.42 H new ATOM 0 HB VAL A 38 0.013 1.130 -2.727 1.00 24.13 H new ATOM 0 HG11 VAL A 38 1.429 2.174 -1.009 1.00 0.41 H new ATOM 0 HG12 VAL A 38 1.083 3.293 -2.350 1.00 0.41 H new ATOM 0 HG13 VAL A 38 0.221 3.465 -0.802 1.00 0.41 H new ATOM 0 HG21 VAL A 38 -0.214 0.441 -0.374 1.00 13.20 H new ATOM 0 HG22 VAL A 38 -1.489 1.661 -0.143 1.00 13.20 H new ATOM 0 HG23 VAL A 38 -1.754 0.297 -1.255 1.00 13.20 H new ATOM 560 N PRO A 39 -1.749 1.423 -4.834 1.00 54.41 N ATOM 561 CA PRO A 39 -2.360 0.543 -5.834 1.00 14.44 C ATOM 562 C PRO A 39 -2.339 -0.920 -5.407 1.00 34.31 C ATOM 563 O PRO A 39 -1.274 -1.523 -5.274 1.00 31.32 O ATOM 564 CB PRO A 39 -1.485 0.752 -7.073 1.00 72.41 C ATOM 565 CG PRO A 39 -0.166 1.188 -6.536 1.00 43.34 C ATOM 566 CD PRO A 39 -0.465 1.982 -5.295 1.00 64.54 C ATOM 0 HA PRO A 39 -3.412 0.777 -5.995 1.00 14.44 H new ATOM 0 HB2 PRO A 39 -1.393 -0.167 -7.652 1.00 72.41 H new ATOM 0 HB3 PRO A 39 -1.911 1.505 -7.736 1.00 72.41 H new ATOM 0 HG2 PRO A 39 0.465 0.329 -6.307 1.00 43.34 H new ATOM 0 HG3 PRO A 39 0.372 1.793 -7.266 1.00 43.34 H new ATOM 0 HD2 PRO A 39 0.317 1.865 -4.545 1.00 64.54 H new ATOM 0 HD3 PRO A 39 -0.544 3.048 -5.509 1.00 64.54 H new ATOM 571 N ALA A 40 -3.522 -1.487 -5.196 1.00 23.32 N ATOM 572 CA ALA A 40 -3.639 -2.882 -4.787 1.00 52.51 C ATOM 573 C ALA A 40 -2.876 -3.798 -5.737 1.00 60.45 C ATOM 574 O ALA A 40 -2.546 -4.932 -5.389 1.00 2.33 O ATOM 575 CB ALA A 40 -5.104 -3.291 -4.718 1.00 15.31 C ATOM 0 H ALA A 40 -4.413 -1.002 -5.301 1.00 23.32 H new ATOM 0 HA ALA A 40 -3.198 -2.983 -3.795 1.00 52.51 H new ATOM 0 HB1 ALA A 40 -5.176 -4.335 -4.412 1.00 15.31 H new ATOM 0 HB2 ALA A 40 -5.623 -2.663 -3.994 1.00 15.31 H new ATOM 0 HB3 ALA A 40 -5.563 -3.168 -5.699 1.00 15.31 H new ATOM 581 N ALA A 41 -2.598 -3.300 -6.937 1.00 53.44 N ATOM 582 CA ALA A 41 -1.872 -4.074 -7.937 1.00 64.23 C ATOM 583 C ALA A 41 -0.413 -4.263 -7.532 1.00 44.21 C ATOM 584 O ALA A 41 0.226 -5.241 -7.917 1.00 10.24 O ATOM 585 CB ALA A 41 -1.962 -3.397 -9.296 1.00 54.42 C ATOM 0 H ALA A 41 -2.865 -2.363 -7.241 1.00 53.44 H new ATOM 0 HA ALA A 41 -2.333 -5.059 -8.004 1.00 64.23 H new ATOM 0 HB1 ALA A 41 -1.416 -3.986 -10.033 1.00 54.42 H new ATOM 0 HB2 ALA A 41 -3.007 -3.320 -9.596 1.00 54.42 H new ATOM 0 HB3 ALA A 41 -1.528 -2.399 -9.235 1.00 54.42 H new ATOM 591 N TYR A 42 0.106 -3.320 -6.754 1.00 4.34 N ATOM 592 CA TYR A 42 1.490 -3.380 -6.300 1.00 53.34 C ATOM 593 C TYR A 42 1.609 -4.206 -5.022 1.00 20.02 C ATOM 594 O TYR A 42 2.710 -4.528 -4.578 1.00 51.25 O ATOM 595 CB TYR A 42 2.034 -1.970 -6.062 1.00 4.12 C ATOM 596 CG TYR A 42 2.330 -1.212 -7.336 1.00 21.01 C ATOM 597 CD1 TYR A 42 1.409 -1.175 -8.375 1.00 14.43 C ATOM 598 CD2 TYR A 42 3.531 -0.533 -7.500 1.00 2.50 C ATOM 599 CE1 TYR A 42 1.676 -0.484 -9.542 1.00 12.12 C ATOM 600 CE2 TYR A 42 3.806 0.163 -8.662 1.00 71.35 C ATOM 601 CZ TYR A 42 2.876 0.183 -9.680 1.00 4.12 C ATOM 602 OH TYR A 42 3.146 0.873 -10.839 1.00 3.44 O ATOM 0 H TYR A 42 -0.411 -2.505 -6.425 1.00 4.34 H new ATOM 0 HA TYR A 42 2.080 -3.862 -7.079 1.00 53.34 H new ATOM 0 HB2 TYR A 42 1.311 -1.405 -5.473 1.00 4.12 H new ATOM 0 HB3 TYR A 42 2.946 -2.037 -5.469 1.00 4.12 H new ATOM 0 HD1 TYR A 42 0.468 -1.695 -8.269 1.00 14.43 H new ATOM 0 HD2 TYR A 42 4.262 -0.549 -6.706 1.00 2.50 H new ATOM 0 HE1 TYR A 42 0.950 -0.466 -10.341 1.00 12.12 H new ATOM 0 HE2 TYR A 42 4.743 0.688 -8.772 1.00 71.35 H new ATOM 0 HH TYR A 42 4.032 1.287 -10.774 1.00 3.44 H new ATOM 611 N VAL A 43 0.465 -4.545 -4.438 1.00 63.42 N ATOM 612 CA VAL A 43 0.438 -5.336 -3.212 1.00 43.32 C ATOM 613 C VAL A 43 -0.512 -6.520 -3.342 1.00 65.20 C ATOM 614 O VAL A 43 -1.149 -6.709 -4.379 1.00 65.02 O ATOM 615 CB VAL A 43 0.014 -4.481 -2.003 1.00 11.51 C ATOM 616 CG1 VAL A 43 1.189 -3.664 -1.487 1.00 34.01 C ATOM 617 CG2 VAL A 43 -1.153 -3.577 -2.372 1.00 32.20 C ATOM 0 H VAL A 43 -0.455 -4.285 -4.793 1.00 63.42 H new ATOM 0 HA VAL A 43 1.451 -5.704 -3.050 1.00 43.32 H new ATOM 0 HB VAL A 43 -0.311 -5.149 -1.205 1.00 11.51 H new ATOM 0 HG11 VAL A 43 0.870 -3.067 -0.633 1.00 34.01 H new ATOM 0 HG12 VAL A 43 1.992 -4.335 -1.181 1.00 34.01 H new ATOM 0 HG13 VAL A 43 1.548 -3.005 -2.277 1.00 34.01 H new ATOM 0 HG21 VAL A 43 -1.439 -2.980 -1.506 1.00 32.20 H new ATOM 0 HG22 VAL A 43 -0.858 -2.916 -3.187 1.00 32.20 H new ATOM 0 HG23 VAL A 43 -2.000 -4.186 -2.688 1.00 32.20 H new ATOM 627 N LYS A 44 -0.606 -7.315 -2.282 1.00 60.55 N ATOM 628 CA LYS A 44 -1.481 -8.482 -2.275 1.00 31.20 C ATOM 629 C LYS A 44 -1.596 -9.067 -0.871 1.00 3.10 C ATOM 630 O LYS A 44 -0.645 -9.028 -0.090 1.00 10.12 O ATOM 631 CB LYS A 44 -0.954 -9.547 -3.241 1.00 42.33 C ATOM 632 CG LYS A 44 -1.613 -10.904 -3.068 1.00 10.10 C ATOM 633 CD LYS A 44 -0.675 -11.900 -2.409 1.00 35.34 C ATOM 634 CE LYS A 44 0.646 -12.001 -3.157 1.00 12.33 C ATOM 635 NZ LYS A 44 0.947 -13.400 -3.567 1.00 64.54 N ATOM 0 H LYS A 44 -0.087 -7.173 -1.416 1.00 60.55 H new ATOM 0 HA LYS A 44 -2.472 -8.164 -2.600 1.00 31.20 H new ATOM 0 HB2 LYS A 44 -1.108 -9.205 -4.265 1.00 42.33 H new ATOM 0 HB3 LYS A 44 0.121 -9.654 -3.099 1.00 42.33 H new ATOM 0 HG2 LYS A 44 -2.514 -10.797 -2.464 1.00 10.10 H new ATOM 0 HG3 LYS A 44 -1.924 -11.285 -4.041 1.00 10.10 H new ATOM 0 HD2 LYS A 44 -0.489 -11.599 -1.378 1.00 35.34 H new ATOM 0 HD3 LYS A 44 -1.150 -12.880 -2.374 1.00 35.34 H new ATOM 0 HE2 LYS A 44 0.613 -11.363 -4.040 1.00 12.33 H new ATOM 0 HE3 LYS A 44 1.451 -11.627 -2.524 1.00 12.33 H new ATOM 0 HZ1 LYS A 44 1.855 -13.426 -4.073 1.00 64.54 H new ATOM 0 HZ2 LYS A 44 1.004 -14.004 -2.723 1.00 64.54 H new ATOM 0 HZ3 LYS A 44 0.192 -13.749 -4.192 1.00 64.54 H new ATOM 645 N LYS A 45 -2.768 -9.610 -0.556 1.00 13.14 N ATOM 646 CA LYS A 45 -3.007 -10.206 0.752 1.00 45.23 C ATOM 647 C LYS A 45 -2.192 -11.483 0.927 1.00 42.23 C ATOM 648 O LYS A 45 -2.098 -12.302 0.013 1.00 12.34 O ATOM 649 CB LYS A 45 -4.497 -10.512 0.932 1.00 11.42 C ATOM 650 CG LYS A 45 -5.194 -9.587 1.916 1.00 73.13 C ATOM 651 CD LYS A 45 -6.500 -10.184 2.411 1.00 5.33 C ATOM 652 CE LYS A 45 -7.635 -9.172 2.346 1.00 14.02 C ATOM 653 NZ LYS A 45 -8.919 -9.803 1.935 1.00 74.24 N ATOM 0 H LYS A 45 -3.567 -9.649 -1.189 1.00 13.14 H new ATOM 0 HA LYS A 45 -2.694 -9.489 1.511 1.00 45.23 H new ATOM 0 HB2 LYS A 45 -4.994 -10.440 -0.036 1.00 11.42 H new ATOM 0 HB3 LYS A 45 -4.609 -11.542 1.272 1.00 11.42 H new ATOM 0 HG2 LYS A 45 -4.537 -9.394 2.764 1.00 73.13 H new ATOM 0 HG3 LYS A 45 -5.389 -8.627 1.439 1.00 73.13 H new ATOM 0 HD2 LYS A 45 -6.754 -11.056 1.809 1.00 5.33 H new ATOM 0 HD3 LYS A 45 -6.377 -10.530 3.437 1.00 5.33 H new ATOM 0 HE2 LYS A 45 -7.758 -8.701 3.321 1.00 14.02 H new ATOM 0 HE3 LYS A 45 -7.377 -8.382 1.641 1.00 14.02 H new ATOM 0 HZ1 LYS A 45 -9.666 -9.080 1.903 1.00 74.24 H new ATOM 0 HZ2 LYS A 45 -8.810 -10.230 0.993 1.00 74.24 H new ATOM 0 HZ3 LYS A 45 -9.179 -10.540 2.621 1.00 74.24 H new ATOM 663 N LEU A 46 -1.604 -11.647 2.107 1.00 43.31 N ATOM 664 CA LEU A 46 -0.797 -12.825 2.402 1.00 63.14 C ATOM 665 C LEU A 46 -1.561 -13.799 3.295 1.00 23.25 C ATOM 666 O LEU A 46 -2.492 -13.411 4.000 1.00 42.42 O ATOM 667 CB LEU A 46 0.512 -12.415 3.081 1.00 10.03 C ATOM 668 CG LEU A 46 1.398 -11.445 2.298 1.00 60.30 C ATOM 669 CD1 LEU A 46 2.447 -10.828 3.208 1.00 44.45 C ATOM 670 CD2 LEU A 46 2.058 -12.155 1.125 1.00 71.32 C ATOM 0 H LEU A 46 -1.671 -10.979 2.875 1.00 43.31 H new ATOM 0 HA LEU A 46 -0.570 -13.324 1.460 1.00 63.14 H new ATOM 0 HB2 LEU A 46 0.273 -11.962 4.043 1.00 10.03 H new ATOM 0 HB3 LEU A 46 1.089 -13.316 3.288 1.00 10.03 H new ATOM 0 HG LEU A 46 0.770 -10.644 1.906 1.00 60.30 H new ATOM 0 HD11 LEU A 46 3.068 -10.141 2.634 1.00 44.45 H new ATOM 0 HD12 LEU A 46 1.955 -10.285 4.015 1.00 44.45 H new ATOM 0 HD13 LEU A 46 3.072 -11.616 3.629 1.00 44.45 H new ATOM 0 HD21 LEU A 46 2.685 -11.450 0.579 1.00 71.32 H new ATOM 0 HD22 LEU A 46 2.673 -12.975 1.495 1.00 71.32 H new ATOM 0 HD23 LEU A 46 1.290 -12.549 0.459 1.00 71.32 H new ATOM 681 N ASP A 47 -1.160 -15.065 3.258 1.00 43.25 N ATOM 682 CA ASP A 47 -1.804 -16.095 4.065 1.00 64.32 C ATOM 683 C ASP A 47 -1.408 -15.963 5.532 1.00 3.13 C ATOM 684 O ASP A 47 -0.317 -16.372 5.930 1.00 14.24 O ATOM 685 CB ASP A 47 -1.434 -17.486 3.547 1.00 1.34 C ATOM 686 CG ASP A 47 -2.034 -17.775 2.184 1.00 44.41 C ATOM 687 OD1 ASP A 47 -3.213 -17.421 1.968 1.00 75.24 O ATOM 688 OD2 ASP A 47 -1.324 -18.352 1.335 1.00 64.13 O ATOM 0 H ASP A 47 -0.392 -15.403 2.678 1.00 43.25 H new ATOM 0 HA ASP A 47 -2.883 -15.962 3.985 1.00 64.32 H new ATOM 0 HB2 ASP A 47 -0.349 -17.572 3.489 1.00 1.34 H new ATOM 0 HB3 ASP A 47 -1.776 -18.238 4.258 1.00 1.34 H new ATOM 692 N SER A 48 -2.301 -15.388 6.332 1.00 71.20 N ATOM 693 CA SER A 48 -2.042 -15.198 7.755 1.00 34.13 C ATOM 694 C SER A 48 -2.841 -16.195 8.590 1.00 14.52 C ATOM 695 O SER A 48 -3.934 -15.889 9.064 1.00 12.30 O ATOM 696 CB SER A 48 -2.393 -13.769 8.172 1.00 12.21 C ATOM 697 OG SER A 48 -1.699 -13.395 9.349 1.00 60.54 O ATOM 0 H SER A 48 -3.210 -15.046 6.019 1.00 71.20 H new ATOM 0 HA SER A 48 -0.980 -15.370 7.933 1.00 34.13 H new ATOM 0 HB2 SER A 48 -2.144 -13.080 7.365 1.00 12.21 H new ATOM 0 HB3 SER A 48 -3.467 -13.689 8.339 1.00 12.21 H new ATOM 0 HG SER A 48 -0.733 -13.448 9.190 1.00 60.54 H new ATOM 702 N GLY A 49 -2.284 -17.389 8.766 1.00 62.31 N ATOM 703 CA GLY A 49 -2.957 -18.413 9.544 1.00 12.01 C ATOM 704 C GLY A 49 -3.584 -17.862 10.808 1.00 51.15 C ATOM 705 O GLY A 49 -4.685 -18.260 11.190 1.00 22.13 O ATOM 0 H GLY A 49 -1.380 -17.666 8.384 1.00 62.31 H new ATOM 0 HA2 GLY A 49 -3.729 -18.880 8.933 1.00 12.01 H new ATOM 0 HA3 GLY A 49 -2.243 -19.193 9.807 1.00 12.01 H new ATOM 709 N THR A 50 -2.880 -16.944 11.464 1.00 45.05 N ATOM 710 CA THR A 50 -3.374 -16.339 12.696 1.00 13.41 C ATOM 711 C THR A 50 -4.678 -15.588 12.456 1.00 3.30 C ATOM 712 O THR A 50 -5.560 -15.566 13.313 1.00 33.50 O ATOM 713 CB THR A 50 -2.339 -15.370 13.298 1.00 3.44 C ATOM 714 OG1 THR A 50 -2.837 -14.822 14.524 1.00 13.41 O ATOM 715 CG2 THR A 50 -2.022 -14.243 12.326 1.00 25.22 C ATOM 0 H THR A 50 -1.967 -16.603 11.163 1.00 45.05 H new ATOM 0 HA THR A 50 -3.552 -17.153 13.399 1.00 13.41 H new ATOM 0 HB THR A 50 -1.423 -15.928 13.494 1.00 3.44 H new ATOM 0 HG1 THR A 50 -2.173 -14.208 14.902 1.00 13.41 H new ATOM 0 HG21 THR A 50 -1.289 -13.572 12.774 1.00 25.22 H new ATOM 0 HG22 THR A 50 -1.617 -14.661 11.404 1.00 25.22 H new ATOM 0 HG23 THR A 50 -2.933 -13.688 12.103 1.00 25.22 H new ATOM 723 N GLY A 51 -4.794 -14.973 11.283 1.00 2.30 N ATOM 724 CA GLY A 51 -5.995 -14.229 10.951 1.00 3.42 C ATOM 725 C GLY A 51 -5.803 -12.730 11.078 1.00 74.33 C ATOM 726 O GLY A 51 -6.575 -12.053 11.757 1.00 21.30 O ATOM 0 H GLY A 51 -4.078 -14.977 10.557 1.00 2.30 H new ATOM 0 HA2 GLY A 51 -6.297 -14.468 9.931 1.00 3.42 H new ATOM 0 HA3 GLY A 51 -6.807 -14.545 11.606 1.00 3.42 H new ATOM 730 N LYS A 52 -4.770 -12.211 10.424 1.00 40.54 N ATOM 731 CA LYS A 52 -4.477 -10.783 10.467 1.00 54.21 C ATOM 732 C LYS A 52 -4.700 -10.141 9.101 1.00 20.32 C ATOM 733 O LYS A 52 -4.988 -10.828 8.122 1.00 63.44 O ATOM 734 CB LYS A 52 -3.034 -10.551 10.921 1.00 44.31 C ATOM 735 CG LYS A 52 -2.784 -10.934 12.370 1.00 74.10 C ATOM 736 CD LYS A 52 -2.995 -9.754 13.304 1.00 13.24 C ATOM 737 CE LYS A 52 -4.289 -9.891 14.091 1.00 62.31 C ATOM 738 NZ LYS A 52 -4.169 -10.897 15.184 1.00 3.21 N ATOM 0 H LYS A 52 -4.121 -12.758 9.858 1.00 40.54 H new ATOM 0 HA LYS A 52 -5.156 -10.319 11.183 1.00 54.21 H new ATOM 0 HB2 LYS A 52 -2.364 -11.125 10.281 1.00 44.31 H new ATOM 0 HB3 LYS A 52 -2.783 -9.499 10.783 1.00 44.31 H new ATOM 0 HG2 LYS A 52 -3.453 -11.747 12.653 1.00 74.10 H new ATOM 0 HG3 LYS A 52 -1.765 -11.307 12.478 1.00 74.10 H new ATOM 0 HD2 LYS A 52 -2.154 -9.680 13.994 1.00 13.24 H new ATOM 0 HD3 LYS A 52 -3.015 -8.830 12.726 1.00 13.24 H new ATOM 0 HE2 LYS A 52 -4.560 -8.924 14.515 1.00 62.31 H new ATOM 0 HE3 LYS A 52 -5.095 -10.181 13.417 1.00 62.31 H new ATOM 0 HZ1 LYS A 52 -5.071 -10.961 15.697 1.00 3.21 H new ATOM 0 HZ2 LYS A 52 -3.935 -11.825 14.777 1.00 3.21 H new ATOM 0 HZ3 LYS A 52 -3.417 -10.607 15.841 1.00 3.21 H new ATOM 748 N GLU A 53 -4.563 -8.820 9.044 1.00 33.33 N ATOM 749 CA GLU A 53 -4.750 -8.087 7.797 1.00 13.53 C ATOM 750 C GLU A 53 -3.427 -7.510 7.302 1.00 75.20 C ATOM 751 O GLU A 53 -3.100 -6.354 7.571 1.00 14.22 O ATOM 752 CB GLU A 53 -5.768 -6.962 7.989 1.00 25.45 C ATOM 753 CG GLU A 53 -6.939 -7.346 8.877 1.00 43.00 C ATOM 754 CD GLU A 53 -6.589 -7.311 10.352 1.00 53.11 C ATOM 755 OE1 GLU A 53 -5.787 -6.442 10.751 1.00 11.42 O ATOM 756 OE2 GLU A 53 -7.118 -8.154 11.107 1.00 63.22 O ATOM 0 H GLU A 53 -4.324 -8.236 9.845 1.00 33.33 H new ATOM 0 HA GLU A 53 -5.126 -8.784 7.048 1.00 13.53 H new ATOM 0 HB2 GLU A 53 -5.264 -6.097 8.420 1.00 25.45 H new ATOM 0 HB3 GLU A 53 -6.147 -6.656 7.014 1.00 25.45 H new ATOM 0 HG2 GLU A 53 -7.771 -6.667 8.689 1.00 43.00 H new ATOM 0 HG3 GLU A 53 -7.278 -8.347 8.612 1.00 43.00 H new ATOM 761 N LEU A 54 -2.668 -8.325 6.577 1.00 34.14 N ATOM 762 CA LEU A 54 -1.379 -7.898 6.042 1.00 64.03 C ATOM 763 C LEU A 54 -1.337 -8.058 4.526 1.00 42.24 C ATOM 764 O LEU A 54 -2.007 -8.925 3.964 1.00 54.43 O ATOM 765 CB LEU A 54 -0.247 -8.704 6.683 1.00 41.43 C ATOM 766 CG LEU A 54 -0.587 -10.141 7.079 1.00 13.04 C ATOM 767 CD1 LEU A 54 -0.948 -10.961 5.850 1.00 34.20 C ATOM 768 CD2 LEU A 54 0.576 -10.778 7.826 1.00 35.01 C ATOM 0 H LEU A 54 -2.923 -9.285 6.346 1.00 34.14 H new ATOM 0 HA LEU A 54 -1.247 -6.843 6.280 1.00 64.03 H new ATOM 0 HB2 LEU A 54 0.593 -8.729 5.989 1.00 41.43 H new ATOM 0 HB3 LEU A 54 0.091 -8.173 7.573 1.00 41.43 H new ATOM 0 HG LEU A 54 -1.451 -10.121 7.743 1.00 13.04 H new ATOM 0 HD11 LEU A 54 -1.187 -11.981 6.151 1.00 34.20 H new ATOM 0 HD12 LEU A 54 -1.812 -10.516 5.357 1.00 34.20 H new ATOM 0 HD13 LEU A 54 -0.104 -10.974 5.161 1.00 34.20 H new ATOM 0 HD21 LEU A 54 0.316 -11.800 8.100 1.00 35.01 H new ATOM 0 HD22 LEU A 54 1.458 -10.787 7.186 1.00 35.01 H new ATOM 0 HD23 LEU A 54 0.788 -10.203 8.728 1.00 35.01 H new ATOM 779 N VAL A 55 -0.545 -7.217 3.869 1.00 52.02 N ATOM 780 CA VAL A 55 -0.413 -7.267 2.418 1.00 2.44 C ATOM 781 C VAL A 55 1.030 -7.024 1.988 1.00 63.24 C ATOM 782 O VAL A 55 1.620 -5.992 2.310 1.00 5.44 O ATOM 783 CB VAL A 55 -1.322 -6.227 1.736 1.00 41.22 C ATOM 784 CG1 VAL A 55 -2.677 -6.834 1.410 1.00 31.44 C ATOM 785 CG2 VAL A 55 -1.478 -4.997 2.617 1.00 41.31 C ATOM 0 H VAL A 55 0.015 -6.493 4.319 1.00 52.02 H new ATOM 0 HA VAL A 55 -0.718 -8.266 2.107 1.00 2.44 H new ATOM 0 HB VAL A 55 -0.854 -5.919 0.801 1.00 41.22 H new ATOM 0 HG11 VAL A 55 -3.305 -6.084 0.929 1.00 31.44 H new ATOM 0 HG12 VAL A 55 -2.544 -7.682 0.738 1.00 31.44 H new ATOM 0 HG13 VAL A 55 -3.155 -7.172 2.329 1.00 31.44 H new ATOM 0 HG21 VAL A 55 -2.123 -4.273 2.120 1.00 41.31 H new ATOM 0 HG22 VAL A 55 -1.923 -5.286 3.569 1.00 41.31 H new ATOM 0 HG23 VAL A 55 -0.500 -4.550 2.794 1.00 41.31 H new ATOM 795 N LEU A 56 1.593 -7.982 1.261 1.00 12.35 N ATOM 796 CA LEU A 56 2.968 -7.872 0.785 1.00 62.43 C ATOM 797 C LEU A 56 3.050 -6.973 -0.444 1.00 40.13 C ATOM 798 O LEU A 56 2.070 -6.805 -1.168 1.00 71.12 O ATOM 799 CB LEU A 56 3.525 -9.258 0.456 1.00 34.13 C ATOM 800 CG LEU A 56 4.885 -9.286 -0.245 1.00 44.21 C ATOM 801 CD1 LEU A 56 5.680 -10.510 0.181 1.00 22.42 C ATOM 802 CD2 LEU A 56 4.706 -9.263 -1.756 1.00 21.43 C ATOM 0 H LEU A 56 1.120 -8.843 0.988 1.00 12.35 H new ATOM 0 HA LEU A 56 3.567 -7.424 1.578 1.00 62.43 H new ATOM 0 HB2 LEU A 56 3.605 -9.825 1.383 1.00 34.13 H new ATOM 0 HB3 LEU A 56 2.803 -9.778 -0.174 1.00 34.13 H new ATOM 0 HG LEU A 56 5.442 -8.396 0.049 1.00 44.21 H new ATOM 0 HD11 LEU A 56 6.644 -10.513 -0.328 1.00 22.42 H new ATOM 0 HD12 LEU A 56 5.839 -10.484 1.259 1.00 22.42 H new ATOM 0 HD13 LEU A 56 5.128 -11.412 -0.083 1.00 22.42 H new ATOM 0 HD21 LEU A 56 5.683 -9.283 -2.239 1.00 21.43 H new ATOM 0 HD22 LEU A 56 4.129 -10.134 -2.067 1.00 21.43 H new ATOM 0 HD23 LEU A 56 4.177 -8.355 -2.046 1.00 21.43 H new ATOM 813 N ALA A 57 4.226 -6.399 -0.672 1.00 11.13 N ATOM 814 CA ALA A 57 4.437 -5.520 -1.816 1.00 43.12 C ATOM 815 C ALA A 57 5.068 -6.276 -2.980 1.00 10.04 C ATOM 816 O ALA A 57 6.228 -6.686 -2.912 1.00 71.32 O ATOM 817 CB ALA A 57 5.308 -4.337 -1.419 1.00 63.13 C ATOM 0 H ALA A 57 5.047 -6.526 -0.080 1.00 11.13 H new ATOM 0 HA ALA A 57 3.465 -5.149 -2.142 1.00 43.12 H new ATOM 0 HB1 ALA A 57 5.457 -3.689 -2.283 1.00 63.13 H new ATOM 0 HB2 ALA A 57 4.818 -3.775 -0.624 1.00 63.13 H new ATOM 0 HB3 ALA A 57 6.274 -4.699 -1.065 1.00 63.13 H new ATOM 823 N LEU A 58 4.299 -6.458 -4.047 1.00 11.44 N ATOM 824 CA LEU A 58 4.782 -7.166 -5.228 1.00 53.31 C ATOM 825 C LEU A 58 5.667 -6.262 -6.081 1.00 24.12 C ATOM 826 O LEU A 58 6.628 -6.720 -6.698 1.00 31.01 O ATOM 827 CB LEU A 58 3.604 -7.677 -6.058 1.00 34.42 C ATOM 828 CG LEU A 58 2.389 -8.167 -5.270 1.00 53.22 C ATOM 829 CD1 LEU A 58 1.245 -8.511 -6.211 1.00 42.31 C ATOM 830 CD2 LEU A 58 2.758 -9.369 -4.414 1.00 41.12 C ATOM 0 H LEU A 58 3.338 -6.125 -4.119 1.00 11.44 H new ATOM 0 HA LEU A 58 5.378 -8.015 -4.894 1.00 53.31 H new ATOM 0 HB2 LEU A 58 3.281 -6.877 -6.724 1.00 34.42 H new ATOM 0 HB3 LEU A 58 3.957 -8.494 -6.688 1.00 34.42 H new ATOM 0 HG LEU A 58 2.060 -7.364 -4.611 1.00 53.22 H new ATOM 0 HD11 LEU A 58 0.389 -8.858 -5.632 1.00 42.31 H new ATOM 0 HD12 LEU A 58 0.963 -7.625 -6.780 1.00 42.31 H new ATOM 0 HD13 LEU A 58 1.562 -9.297 -6.897 1.00 42.31 H new ATOM 0 HD21 LEU A 58 1.881 -9.704 -3.860 1.00 41.12 H new ATOM 0 HD22 LEU A 58 3.113 -10.176 -5.054 1.00 41.12 H new ATOM 0 HD23 LEU A 58 3.544 -9.089 -3.713 1.00 41.12 H new ATOM 841 N TYR A 59 5.336 -4.976 -6.108 1.00 3.35 N ATOM 842 CA TYR A 59 6.100 -4.007 -6.886 1.00 65.11 C ATOM 843 C TYR A 59 6.554 -2.842 -6.011 1.00 24.41 C ATOM 844 O TYR A 59 6.142 -2.721 -4.857 1.00 23.33 O ATOM 845 CB TYR A 59 5.262 -3.484 -8.054 1.00 21.31 C ATOM 846 CG TYR A 59 4.435 -4.554 -8.731 1.00 32.30 C ATOM 847 CD1 TYR A 59 4.962 -5.815 -8.980 1.00 12.54 C ATOM 848 CD2 TYR A 59 3.125 -4.303 -9.124 1.00 54.33 C ATOM 849 CE1 TYR A 59 4.211 -6.794 -9.599 1.00 73.45 C ATOM 850 CE2 TYR A 59 2.366 -5.277 -9.742 1.00 23.22 C ATOM 851 CZ TYR A 59 2.913 -6.522 -9.978 1.00 54.32 C ATOM 852 OH TYR A 59 2.160 -7.494 -10.595 1.00 13.30 O ATOM 0 H TYR A 59 4.545 -4.580 -5.601 1.00 3.35 H new ATOM 0 HA TYR A 59 6.984 -4.511 -7.278 1.00 65.11 H new ATOM 0 HB2 TYR A 59 4.599 -2.699 -7.692 1.00 21.31 H new ATOM 0 HB3 TYR A 59 5.924 -3.028 -8.790 1.00 21.31 H new ATOM 0 HD1 TYR A 59 5.977 -6.033 -8.684 1.00 12.54 H new ATOM 0 HD2 TYR A 59 2.694 -3.330 -8.943 1.00 54.33 H new ATOM 0 HE1 TYR A 59 4.638 -7.768 -9.786 1.00 73.45 H new ATOM 0 HE2 TYR A 59 1.349 -5.066 -10.039 1.00 23.22 H new ATOM 0 HH TYR A 59 1.269 -7.139 -10.795 1.00 13.30 H new ATOM 861 N ASP A 60 7.404 -1.988 -6.569 1.00 51.15 N ATOM 862 CA ASP A 60 7.914 -0.831 -5.841 1.00 75.31 C ATOM 863 C ASP A 60 6.992 0.371 -6.017 1.00 34.50 C ATOM 864 O ASP A 60 6.593 0.701 -7.134 1.00 33.21 O ATOM 865 CB ASP A 60 9.325 -0.483 -6.319 1.00 25.12 C ATOM 866 CG ASP A 60 9.765 0.895 -5.867 1.00 3.34 C ATOM 867 OD1 ASP A 60 9.308 1.342 -4.795 1.00 44.30 O ATOM 868 OD2 ASP A 60 10.564 1.529 -6.588 1.00 41.21 O ATOM 0 H ASP A 60 7.755 -2.074 -7.523 1.00 51.15 H new ATOM 0 HA ASP A 60 7.950 -1.085 -4.782 1.00 75.31 H new ATOM 0 HB2 ASP A 60 10.027 -1.227 -5.943 1.00 25.12 H new ATOM 0 HB3 ASP A 60 9.360 -0.534 -7.407 1.00 25.12 H new ATOM 872 N TYR A 61 6.656 1.020 -4.909 1.00 53.15 N ATOM 873 CA TYR A 61 5.778 2.184 -4.940 1.00 73.13 C ATOM 874 C TYR A 61 6.163 3.186 -3.855 1.00 25.43 C ATOM 875 O TYR A 61 6.661 2.808 -2.796 1.00 61.54 O ATOM 876 CB TYR A 61 4.321 1.754 -4.761 1.00 51.13 C ATOM 877 CG TYR A 61 3.342 2.905 -4.802 1.00 10.23 C ATOM 878 CD1 TYR A 61 3.346 3.882 -3.814 1.00 63.22 C ATOM 879 CD2 TYR A 61 2.411 3.015 -5.827 1.00 33.13 C ATOM 880 CE1 TYR A 61 2.452 4.935 -3.846 1.00 71.11 C ATOM 881 CE2 TYR A 61 1.515 4.066 -5.870 1.00 72.23 C ATOM 882 CZ TYR A 61 1.539 5.022 -4.876 1.00 4.23 C ATOM 883 OH TYR A 61 0.647 6.069 -4.914 1.00 41.13 O ATOM 0 H TYR A 61 6.978 0.760 -3.977 1.00 53.15 H new ATOM 0 HA TYR A 61 5.890 2.667 -5.911 1.00 73.13 H new ATOM 0 HB2 TYR A 61 4.063 1.040 -5.543 1.00 51.13 H new ATOM 0 HB3 TYR A 61 4.219 1.234 -3.808 1.00 51.13 H new ATOM 0 HD1 TYR A 61 4.061 3.817 -3.007 1.00 63.22 H new ATOM 0 HD2 TYR A 61 2.387 2.266 -6.604 1.00 33.13 H new ATOM 0 HE1 TYR A 61 2.468 5.685 -3.069 1.00 71.11 H new ATOM 0 HE2 TYR A 61 0.801 4.138 -6.677 1.00 72.23 H new ATOM 0 HH TYR A 61 0.139 6.036 -5.752 1.00 41.13 H new ATOM 892 N GLN A 62 5.926 4.464 -4.129 1.00 24.02 N ATOM 893 CA GLN A 62 6.246 5.521 -3.177 1.00 40.23 C ATOM 894 C GLN A 62 5.092 6.511 -3.054 1.00 40.15 C ATOM 895 O GLN A 62 4.506 6.922 -4.055 1.00 35.11 O ATOM 896 CB GLN A 62 7.519 6.253 -3.605 1.00 32.30 C ATOM 897 CG GLN A 62 8.680 6.071 -2.640 1.00 4.25 C ATOM 898 CD GLN A 62 8.655 7.073 -1.503 1.00 1.54 C ATOM 899 OE1 GLN A 62 7.480 7.624 -1.223 1.00 74.11 O flip ATOM 900 NE2 GLN A 62 9.681 7.351 -0.882 1.00 22.23 N flip ATOM 0 H GLN A 62 5.514 4.793 -5.002 1.00 24.02 H new ATOM 0 HA GLN A 62 6.410 5.061 -2.203 1.00 40.23 H new ATOM 0 HB2 GLN A 62 7.818 5.898 -4.591 1.00 32.30 H new ATOM 0 HB3 GLN A 62 7.301 7.317 -3.702 1.00 32.30 H new ATOM 0 HG2 GLN A 62 8.652 5.061 -2.230 1.00 4.25 H new ATOM 0 HG3 GLN A 62 9.619 6.168 -3.185 1.00 4.25 H new ATOM 0 HE21 GLN A 62 10.564 6.904 -1.130 1.00 22.23 H new ATOM 0 HE22 GLN A 62 9.648 8.028 -0.120 1.00 22.23 H new ATOM 907 N GLU A 63 4.773 6.890 -1.820 1.00 24.11 N ATOM 908 CA GLU A 63 3.688 7.831 -1.567 1.00 14.25 C ATOM 909 C GLU A 63 4.140 8.941 -0.622 1.00 34.34 C ATOM 910 O GLU A 63 5.019 8.739 0.215 1.00 71.53 O ATOM 911 CB GLU A 63 2.478 7.104 -0.976 1.00 75.41 C ATOM 912 CG GLU A 63 1.160 7.491 -1.622 1.00 3.25 C ATOM 913 CD GLU A 63 0.951 8.993 -1.668 1.00 31.12 C ATOM 914 OE1 GLU A 63 0.595 9.575 -0.623 1.00 65.40 O ATOM 915 OE2 GLU A 63 1.146 9.585 -2.750 1.00 21.22 O ATOM 0 H GLU A 63 5.250 6.560 -0.981 1.00 24.11 H new ATOM 0 HA GLU A 63 3.403 8.280 -2.518 1.00 14.25 H new ATOM 0 HB2 GLU A 63 2.623 6.029 -1.083 1.00 75.41 H new ATOM 0 HB3 GLU A 63 2.425 7.314 0.092 1.00 75.41 H new ATOM 0 HG2 GLU A 63 1.126 7.092 -2.636 1.00 3.25 H new ATOM 0 HG3 GLU A 63 0.340 7.031 -1.070 1.00 3.25 H new ATOM 920 N SER A 64 3.532 10.114 -0.765 1.00 12.23 N ATOM 921 CA SER A 64 3.875 11.259 0.072 1.00 73.30 C ATOM 922 C SER A 64 2.639 11.799 0.785 1.00 61.52 C ATOM 923 O SER A 64 1.762 12.396 0.164 1.00 44.12 O ATOM 924 CB SER A 64 4.513 12.362 -0.773 1.00 51.32 C ATOM 925 OG SER A 64 5.621 12.941 -0.103 1.00 32.32 O ATOM 0 H SER A 64 2.800 10.297 -1.452 1.00 12.23 H new ATOM 0 HA SER A 64 4.591 10.927 0.824 1.00 73.30 H new ATOM 0 HB2 SER A 64 4.836 11.951 -1.729 1.00 51.32 H new ATOM 0 HB3 SER A 64 3.773 13.132 -0.991 1.00 51.32 H new ATOM 0 HG SER A 64 6.013 13.642 -0.664 1.00 32.32 H new ATOM 930 N GLY A 65 2.578 11.583 2.096 1.00 52.44 N ATOM 931 CA GLY A 65 1.447 12.054 2.873 1.00 72.14 C ATOM 932 C GLY A 65 0.132 11.471 2.395 1.00 5.12 C ATOM 933 O GLY A 65 -0.251 11.653 1.239 1.00 74.32 O ATOM 0 H GLY A 65 3.292 11.090 2.633 1.00 52.44 H new ATOM 0 HA2 GLY A 65 1.597 11.794 3.921 1.00 72.14 H new ATOM 0 HA3 GLY A 65 1.400 13.142 2.818 1.00 72.14 H new ATOM 937 N ASP A 66 -0.561 10.768 3.284 1.00 42.54 N ATOM 938 CA ASP A 66 -1.840 10.156 2.947 1.00 12.25 C ATOM 939 C ASP A 66 -2.633 11.046 1.993 1.00 62.52 C ATOM 940 O ASP A 66 -3.221 12.045 2.406 1.00 3.10 O ATOM 941 CB ASP A 66 -2.654 9.893 4.214 1.00 13.05 C ATOM 942 CG ASP A 66 -2.891 11.152 5.023 1.00 15.43 C ATOM 943 OD1 ASP A 66 -1.914 11.683 5.593 1.00 42.52 O ATOM 944 OD2 ASP A 66 -4.052 11.608 5.087 1.00 60.13 O ATOM 0 H ASP A 66 -0.258 10.608 4.245 1.00 42.54 H new ATOM 0 HA ASP A 66 -1.641 9.207 2.450 1.00 12.25 H new ATOM 0 HB2 ASP A 66 -3.614 9.454 3.941 1.00 13.05 H new ATOM 0 HB3 ASP A 66 -2.133 9.161 4.831 1.00 13.05 H new ATOM 948 N ASN A 67 -2.644 10.676 0.717 1.00 20.54 N ATOM 949 CA ASN A 67 -3.364 11.442 -0.295 1.00 75.54 C ATOM 950 C ASN A 67 -4.358 10.556 -1.041 1.00 0.30 C ATOM 951 O ASN A 67 -4.109 9.371 -1.257 1.00 43.12 O ATOM 952 CB ASN A 67 -2.379 12.069 -1.285 1.00 42.14 C ATOM 953 CG ASN A 67 -1.511 13.133 -0.641 1.00 72.50 C ATOM 954 OD1 ASN A 67 -0.294 13.149 -0.822 1.00 21.21 O ATOM 955 ND2 ASN A 67 -2.136 14.027 0.116 1.00 71.24 N ATOM 0 H ASN A 67 -2.163 9.851 0.359 1.00 20.54 H new ATOM 0 HA ASN A 67 -3.917 12.235 0.209 1.00 75.54 H new ATOM 0 HB2 ASN A 67 -1.743 11.289 -1.704 1.00 42.14 H new ATOM 0 HB3 ASN A 67 -2.932 12.509 -2.115 1.00 42.14 H new ATOM 0 HD21 ASN A 67 -1.605 14.766 0.576 1.00 71.24 H new ATOM 0 HD22 ASN A 67 -3.147 13.974 0.238 1.00 71.24 H new ATOM 961 N ALA A 68 -5.485 11.142 -1.433 1.00 11.51 N ATOM 962 CA ALA A 68 -6.515 10.409 -2.157 1.00 70.13 C ATOM 963 C ALA A 68 -6.041 10.034 -3.556 1.00 22.31 C ATOM 964 O ALA A 68 -5.358 10.802 -4.234 1.00 41.32 O ATOM 965 CB ALA A 68 -7.793 11.232 -2.234 1.00 62.45 C ATOM 0 H ALA A 68 -5.707 12.123 -1.261 1.00 11.51 H new ATOM 0 HA ALA A 68 -6.721 9.488 -1.612 1.00 70.13 H new ATOM 0 HB1 ALA A 68 -8.554 10.672 -2.778 1.00 62.45 H new ATOM 0 HB2 ALA A 68 -8.150 11.445 -1.226 1.00 62.45 H new ATOM 0 HB3 ALA A 68 -7.592 12.169 -2.753 1.00 62.45 H new ATOM 971 N PRO A 69 -6.410 8.824 -4.002 1.00 32.32 N ATOM 972 CA PRO A 69 -6.033 8.318 -5.325 1.00 41.40 C ATOM 973 C PRO A 69 -6.745 9.058 -6.453 1.00 55.01 C ATOM 974 O PRO A 69 -6.106 9.568 -7.373 1.00 14.53 O ATOM 975 CB PRO A 69 -6.475 6.853 -5.285 1.00 14.21 C ATOM 976 CG PRO A 69 -7.572 6.816 -4.278 1.00 50.00 C ATOM 977 CD PRO A 69 -7.225 7.855 -3.248 1.00 54.22 C ATOM 0 HA PRO A 69 -4.970 8.451 -5.524 1.00 41.40 H new ATOM 0 HB2 PRO A 69 -6.823 6.518 -6.262 1.00 14.21 H new ATOM 0 HB3 PRO A 69 -5.652 6.199 -4.998 1.00 14.21 H new ATOM 0 HG2 PRO A 69 -8.534 7.032 -4.742 1.00 50.00 H new ATOM 0 HG3 PRO A 69 -7.652 5.828 -3.824 1.00 50.00 H new ATOM 0 HD2 PRO A 69 -8.118 8.320 -2.830 1.00 54.22 H new ATOM 0 HD3 PRO A 69 -6.669 7.425 -2.415 1.00 54.22 H new ATOM 982 N SER A 70 -8.070 9.113 -6.374 1.00 41.40 N ATOM 983 CA SER A 70 -8.869 9.789 -7.390 1.00 54.21 C ATOM 984 C SER A 70 -8.824 9.027 -8.711 1.00 12.23 C ATOM 985 O SER A 70 -9.825 8.460 -9.148 1.00 22.45 O ATOM 986 CB SER A 70 -8.368 11.220 -7.596 1.00 74.22 C ATOM 987 OG SER A 70 -9.391 12.048 -8.118 1.00 53.44 O ATOM 0 H SER A 70 -8.613 8.698 -5.617 1.00 41.40 H new ATOM 0 HA SER A 70 -9.902 9.821 -7.043 1.00 54.21 H new ATOM 0 HB2 SER A 70 -8.016 11.626 -6.647 1.00 74.22 H new ATOM 0 HB3 SER A 70 -7.516 11.216 -8.276 1.00 74.22 H new ATOM 0 HG SER A 70 -9.046 12.957 -8.239 1.00 53.44 H new ATOM 992 N TYR A 71 -7.655 9.019 -9.342 1.00 0.55 N ATOM 993 CA TYR A 71 -7.479 8.330 -10.615 1.00 55.03 C ATOM 994 C TYR A 71 -7.070 6.876 -10.396 1.00 52.32 C ATOM 995 O TYR A 71 -6.791 6.462 -9.270 1.00 22.22 O ATOM 996 CB TYR A 71 -6.426 9.045 -11.464 1.00 14.12 C ATOM 997 CG TYR A 71 -5.167 9.393 -10.702 1.00 44.41 C ATOM 998 CD1 TYR A 71 -4.434 8.413 -10.046 1.00 23.02 C ATOM 999 CD2 TYR A 71 -4.712 10.705 -10.638 1.00 61.01 C ATOM 1000 CE1 TYR A 71 -3.284 8.728 -9.348 1.00 61.33 C ATOM 1001 CE2 TYR A 71 -3.562 11.028 -9.943 1.00 1.42 C ATOM 1002 CZ TYR A 71 -2.853 10.037 -9.299 1.00 74.23 C ATOM 1003 OH TYR A 71 -1.707 10.354 -8.605 1.00 25.25 O ATOM 0 H TYR A 71 -6.816 9.482 -8.993 1.00 0.55 H new ATOM 0 HA TYR A 71 -8.433 8.345 -11.142 1.00 55.03 H new ATOM 0 HB2 TYR A 71 -6.164 8.412 -12.312 1.00 14.12 H new ATOM 0 HB3 TYR A 71 -6.859 9.959 -11.871 1.00 14.12 H new ATOM 0 HD1 TYR A 71 -4.769 7.387 -10.082 1.00 23.02 H new ATOM 0 HD2 TYR A 71 -5.266 11.485 -11.140 1.00 61.01 H new ATOM 0 HE1 TYR A 71 -2.726 7.953 -8.844 1.00 61.33 H new ATOM 0 HE2 TYR A 71 -3.221 12.052 -9.905 1.00 1.42 H new ATOM 0 HH TYR A 71 -1.541 11.318 -8.670 1.00 25.25 H new ATOM 1012 N SER A 72 -7.035 6.108 -11.479 1.00 20.43 N ATOM 1013 CA SER A 72 -6.664 4.700 -11.406 1.00 11.23 C ATOM 1014 C SER A 72 -5.202 4.544 -11.000 1.00 35.43 C ATOM 1015 O SER A 72 -4.400 5.473 -11.102 1.00 41.44 O ATOM 1016 CB SER A 72 -6.907 4.016 -12.754 1.00 72.02 C ATOM 1017 OG SER A 72 -5.687 3.801 -13.443 1.00 23.22 O ATOM 0 H SER A 72 -7.259 6.437 -12.418 1.00 20.43 H new ATOM 0 HA SER A 72 -7.286 4.224 -10.648 1.00 11.23 H new ATOM 0 HB2 SER A 72 -7.412 3.063 -12.596 1.00 72.02 H new ATOM 0 HB3 SER A 72 -7.569 4.631 -13.363 1.00 72.02 H new ATOM 0 HG SER A 72 -5.868 3.362 -14.300 1.00 23.22 H new ATOM 1022 N PRO A 73 -4.844 3.340 -10.529 1.00 0.13 N ATOM 1023 CA PRO A 73 -3.477 3.032 -10.099 1.00 1.31 C ATOM 1024 C PRO A 73 -2.500 2.973 -11.268 1.00 52.20 C ATOM 1025 O PRO A 73 -2.878 2.719 -12.412 1.00 20.11 O ATOM 1026 CB PRO A 73 -3.612 1.655 -9.445 1.00 63.21 C ATOM 1027 CG PRO A 73 -4.811 1.046 -10.089 1.00 51.30 C ATOM 1028 CD PRO A 73 -5.747 2.186 -10.381 1.00 2.35 C ATOM 0 HA PRO A 73 -3.078 3.798 -9.434 1.00 1.31 H new ATOM 0 HB2 PRO A 73 -2.722 1.048 -9.612 1.00 63.21 H new ATOM 0 HB3 PRO A 73 -3.742 1.740 -8.366 1.00 63.21 H new ATOM 0 HG2 PRO A 73 -4.538 0.521 -11.004 1.00 51.30 H new ATOM 0 HG3 PRO A 73 -5.279 0.315 -9.430 1.00 51.30 H new ATOM 0 HD2 PRO A 73 -6.325 2.009 -11.288 1.00 2.35 H new ATOM 0 HD3 PRO A 73 -6.462 2.336 -9.572 1.00 2.35 H new ATOM 1033 N PRO A 74 -1.213 3.214 -10.978 1.00 43.10 N ATOM 1034 CA PRO A 74 -0.155 3.193 -11.993 1.00 43.04 C ATOM 1035 C PRO A 74 0.123 1.786 -12.511 1.00 41.02 C ATOM 1036 O PRO A 74 -0.138 0.788 -11.838 1.00 73.34 O ATOM 1037 CB PRO A 74 1.064 3.737 -11.245 1.00 42.44 C ATOM 1038 CG PRO A 74 0.799 3.429 -9.812 1.00 73.54 C ATOM 1039 CD PRO A 74 -0.691 3.524 -9.636 1.00 12.02 C ATOM 0 HA PRO A 74 -0.425 3.773 -12.876 1.00 43.04 H new ATOM 0 HB2 PRO A 74 1.983 3.262 -11.588 1.00 42.44 H new ATOM 0 HB3 PRO A 74 1.180 4.809 -11.404 1.00 42.44 H new ATOM 0 HG2 PRO A 74 1.160 2.433 -9.554 1.00 73.54 H new ATOM 0 HG3 PRO A 74 1.315 4.134 -9.160 1.00 73.54 H new ATOM 0 HD2 PRO A 74 -1.054 2.816 -8.890 1.00 12.02 H new ATOM 0 HD3 PRO A 74 -0.994 4.518 -9.306 1.00 12.02 H new ATOM 1044 N PRO A 75 0.665 1.701 -13.735 1.00 45.51 N ATOM 1045 CA PRO A 75 0.990 0.421 -14.369 1.00 34.34 C ATOM 1046 C PRO A 75 2.166 -0.278 -13.695 1.00 41.01 C ATOM 1047 O PRO A 75 3.246 0.290 -13.530 1.00 33.41 O ATOM 1048 CB PRO A 75 1.356 0.818 -15.802 1.00 2.52 C ATOM 1049 CG PRO A 75 1.813 2.232 -15.698 1.00 40.32 C ATOM 1050 CD PRO A 75 1.001 2.850 -14.593 1.00 70.53 C ATOM 0 HA PRO A 75 0.163 -0.287 -14.305 1.00 34.34 H new ATOM 0 HB2 PRO A 75 2.141 0.177 -16.202 1.00 2.52 H new ATOM 0 HB3 PRO A 75 0.499 0.727 -16.469 1.00 2.52 H new ATOM 0 HG2 PRO A 75 2.879 2.282 -15.474 1.00 40.32 H new ATOM 0 HG3 PRO A 75 1.660 2.762 -16.638 1.00 40.32 H new ATOM 0 HD2 PRO A 75 1.570 3.605 -14.050 1.00 70.53 H new ATOM 0 HD3 PRO A 75 0.106 3.340 -14.977 1.00 70.53 H new ATOM 1055 N PRO A 76 1.954 -1.540 -13.294 1.00 64.54 N ATOM 1056 CA PRO A 76 2.984 -2.345 -12.630 1.00 2.33 C ATOM 1057 C PRO A 76 4.114 -2.733 -13.577 1.00 15.55 C ATOM 1058 O PRO A 76 4.032 -2.544 -14.791 1.00 13.42 O ATOM 1059 CB PRO A 76 2.221 -3.590 -12.171 1.00 41.43 C ATOM 1060 CG PRO A 76 1.066 -3.693 -13.105 1.00 23.35 C ATOM 1061 CD PRO A 76 0.690 -2.280 -13.456 1.00 15.32 C ATOM 0 HA PRO A 76 3.466 -1.801 -11.818 1.00 2.33 H new ATOM 0 HB2 PRO A 76 2.849 -4.479 -12.219 1.00 41.43 H new ATOM 0 HB3 PRO A 76 1.887 -3.491 -11.138 1.00 41.43 H new ATOM 0 HG2 PRO A 76 1.335 -4.258 -13.997 1.00 23.35 H new ATOM 0 HG3 PRO A 76 0.231 -4.214 -12.637 1.00 23.35 H new ATOM 0 HD2 PRO A 76 0.309 -2.207 -14.475 1.00 15.32 H new ATOM 0 HD3 PRO A 76 -0.088 -1.896 -12.796 1.00 15.32 H new ATOM 1066 N PRO A 77 5.197 -3.288 -13.012 1.00 2.54 N ATOM 1067 CA PRO A 77 6.364 -3.714 -13.788 1.00 13.52 C ATOM 1068 C PRO A 77 6.071 -4.934 -14.655 1.00 24.12 C ATOM 1069 O PRO A 77 5.900 -4.818 -15.869 1.00 60.14 O ATOM 1070 CB PRO A 77 7.399 -4.058 -12.713 1.00 14.22 C ATOM 1071 CG PRO A 77 6.593 -4.406 -11.510 1.00 13.12 C ATOM 1072 CD PRO A 77 5.363 -3.542 -11.571 1.00 54.11 C ATOM 0 HA PRO A 77 6.693 -2.943 -14.485 1.00 13.52 H new ATOM 0 HB2 PRO A 77 8.029 -4.892 -13.022 1.00 14.22 H new ATOM 0 HB3 PRO A 77 8.061 -3.215 -12.516 1.00 14.22 H new ATOM 0 HG2 PRO A 77 6.328 -5.463 -11.511 1.00 13.12 H new ATOM 0 HG3 PRO A 77 7.156 -4.219 -10.596 1.00 13.12 H new ATOM 0 HD2 PRO A 77 4.495 -4.048 -11.149 1.00 54.11 H new ATOM 0 HD3 PRO A 77 5.494 -2.616 -11.012 1.00 54.11 H new